3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Basic Information

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CAS Number

86499-35-6

Molecular Formula

C10H12N2O

Molecular Weight

176.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

377.5℃ at 760 mmHg

SMILES

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C1CC2=CC=CC=C2NC(=O)C1N

InChI

InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)

InChIKey

AUAKXRGQXZRTQC-UHFFFAOYSA-N

LogP

0.8985999999999996

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

205

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

86499-35-6
MFCD02258897
2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (3S)-
CS-0004295
3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
3-Amino-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine
SB33098
DTXSID00403254
3-Amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
SCHEMBL1270022
3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one
SB33097
AKOS005208090
FT-0690415
2H-1-BENZAZEPIN-2-ONE, 3-AMINO-1,3,4,5-TETRAHYDRO-
FT-0648278
AS-30160
N-Boc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxyli acid
3-amino-2,3,4,5-tetrahydro-1H[1]benzazepin-2-one
EN300-267142
J-511556
3-amino-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one
4-METHYL-1-PIPERAZINEPROPANOICACIDMETHYLESTER
racemic 3-amino-2,3,4,5-tetrahydro-1H-[1]-benzazepin-2-one
AUAKXRGQXZRTQC-UHFFFAOYSA-N
SCHEMBL13904707
AB11692
F2108-0270
2H-1-Benzazepin-2-one, 3-amino-1,3,4,5-tetrahydro-, (3R)-
3-amino-1,3,4,5-tetrahydro-[1]benzazepin-2-one

MDL Number

MFCD02258897

FAQ

What regulatory guidelines apply to 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6)?

The compound 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6) falls under regulatory guidelines such as GHS (Global Harmonized System of Classification and Labeling of Chemicals) for classification and labeling. It may also be subject to REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, which requires pre-market notification and assessment of the substance's potential environmental and health impacts. FDA and EPA guidelines may also apply for specific uses and safety in the US, including handling and disposal of waste containing the compound.

Are there alternatives to 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6) in synthesis?

While 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6) is a specific compound, there are alternative reagents and analogs that can be used in synthesis, such as other benzazepinone derivatives or related amino compounds. These alternatives may offer similar functional groups or properties, providing flexibility in chemical synthesis.

What is the market or research trend for 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6)?

The market for 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6) is driven by its use in pharmaceuticals and research. Emerging trends include its application in the development of new drugs and as a building block in structural biology. Research is also focusing on its biosynthesis and potential in medicinal chemistry. Market trends suggest increasing demand as it continues to be explored for its therapeutic potential and synthetic utility.

How should waste containing 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6) be handled?

Waste containing 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 86499-35-6) should be collected in appropriate containers and disposed of according to local and international regulations. Incineration or professional waste disposal services are recommended to ensure environmental safety. Precautions include proper handling to prevent spills and contamination, and the use of personal protective equipment. Compliance with regulations such as the Resource Conservation and Recovery Act (RCRA) in the US is essential for waste management.