Benzyl (3S)-3-amino-1-piperidinecarboxylate

Basic Information

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CAS Number

876461-55-1

Molecular Formula

C13H18N2O2

Molecular Weight

234.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Liquid

SMILES

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O=C(N1C[C@@H](N)CCC1)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m0/s1

InChIKey

PBFBPDLWODIXHK-LBPRGKRZSA-N

LogP

1.7463

Topological Polar Surface Area

55.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

252

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(S)-Benzyl 3-aminopiperidine-1-carboxylate
(S)-1-Cbz-3-aminopiperidine
(S)-1-Cbz-3-amipiperidine
(S)-3-AMino-1-Cbz-piperidine
1-Piperidinecarboxylicacid, 3-amino-, phenylmethyl ester, (3S)-
benzyl (3S)-3-aminopiperidine-1-carboxylate
(3S)-3-Amino-1-Cbz-piperidine
PubChem11439
(S)-1-N-Cbz-3-aminopiperidine
PBFBPDLWODIXHK-LBPRGKRZSA-N
BH582
PB25014
FCH4057055
AM804466
OR307041
ST2414655
AB0027193
Benzyl
Phenylmethyl (3S)-3-amino-1-piperidinecarboxylate (ACI)
Benzyl (3S)-3-aminopiperidine-1-carboxylate

MDL Number

MFCD08061980

FAQ

What regulatory guidelines apply to Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1)?

Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1) should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements in the USA. It is classified as a pharmaceutical intermediate, and specific handling and storage guidelines are required based on its hazardous properties.

Are there alternatives to Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1) in synthesis?

Alternatives to Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1) in synthesis include related piperidine derivatives such as (3R)-3-amino-1-piperidinecarboxylic acid and cyclic piperidine analogs. Other substitutes may include amino acids or other amine-containing compounds that can serve similar functional roles in the synthesis of pharmaceuticals.

What is the market or research trend for Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1)?

Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1) is increasingly being used in the development of new pharmaceuticals due to its unique chemical properties. Market trends show growing interest in its use as an intermediate in the synthesis of drugs targeting various diseases. Research is focusing on its potential in treating neurological and inflammatory conditions.

How should waste containing Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1) be handled?

Waste containing Benzyl (3S)-3-amino-1-piperidinecarboxylate (CAS: 876461-55-1) should be collected in appropriate containers and stored in a designated area until disposal. For safe incineration, the waste should be pretreated to minimize the risk of explosion. Professional waste disposal services that comply with local regulations should be utilized for final disposal, ensuring environmental protection and safety.