(Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine

Basic Information

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CAS Number

584-85-0

Molecular Formula

C10H16N4O3

Molecular Weight

240.26 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

Boiling Point

611.3℃ at 760 mmHg

Flash Point

323.5ºC

Refractive Index

1.615

Specific Rotation

+9 ~ +12° (c=0.5, H2O)

SMILES

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NCCC(=O)N[C@H](C(=O)O)Cc1cncn1C

InChI

InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1

InChIKey

MYYIAHXIVFADCU-QMMMGPOBSA-N

LogP

-1.1191999999999982

Topological Polar Surface Area

110.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

285

Safety Information

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Hazard Statement

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

(S)-2-(4-Aminobutanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
L-Anserine
Anserine
H-β-Ala-His(3-Me)-OH
L-Histidine, b-alanyl-3-methyl-
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)-propanoic acid
L-N-beta-Alanyl-3-methylhistidine
N-beta-Alanyl-3-methyl-L-histidine
HDQ4N37UGV
beta-Alanyl-N(pi)-methyl-L-histidine
beta-Alanyl-N(pai)-methyl-L-histidine
(2~{S})-2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
H-beta-Ala-His(3-Me)-OH
H-?-Ala-His(3-Me)-OH
(2S)-2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid
N-b-alanyl-3-methyl-L-Histidine
L-N-b-alanyl-3-methyl-Histidine

MDL Number

MFCD11040910

Customs Code

2933290090

FAQ

What is (Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine (CAS: 584-85-0)?

(Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine is a chemical compound with the CAS number 584-85-0. It is a derivative of histidine, characterized by its amino and hydroxyl functionalities. This compound has a molecular formula of C7H15NO4 and is used in various applications due to its unique chemical structure.

What are the main uses of (Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine (CAS: 584-85-0)?

(Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine is primarily used in the pharmaceutical industry as a precursor for the synthesis of drugs and in research for its biological activity. It is also utilized in the food industry as a flavor enhancer and in the cosmetic industry for its potential skin care benefits.

Is (Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine (CAS: 584-85-0) safe?

(Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine is generally considered safe for its intended uses. However, it should be handled with care to avoid skin and eye contact. Proper protective equipment such as gloves and goggles should be worn during handling. Storage should be in a cool, dry place away from direct sunlight.

How should (Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine (CAS: 584-85-0) be stored?

(Z)-N-(3-Amino-1-hydroxypropylidene)-3-methyl-L-histidine should be stored in a tightly sealed container in a cool, dry place to ensure stability. It should be kept away from heat, moisture, and direct sunlight. The storage temperature should not exceed 25°C to prevent degradation. Handling should be done in a well-ventilated area to avoid inhalation of dust or aerosols.