N-acetyl-D-alanine

HCID 132213

기본 정보

CAS
19436-52-3
표준 SMILES
CC(=O)N[C@H](C)C(=O)O
InChIKey
KTHDTJVBEPMMGL-GSVOUGTGSA-N
분자식
C5H9NO3
평균 분자량
131.13 g/mol
단동위원소 질량
131.05824315

이름 및 식별자

우선 이름
N-acetyl-D-alanine
IUPAC
(2R)-2-acetamidopropanoic acid
영어명
Ac-D-Ala-OH
분자식
C5H9NO3
분자량
131.13

이름 및 동의어

N-Acetyl-D-alanine19436-52-3Acetyl-D-AlanineD-Alanine, N-acetyl-IIE41SBQ9LEINECS 243-066-8UNII-IIE41SBQ9LALANINE, N-ACETYL-, D-(R)-(+)-N-ACETYLALANINENSC 203819NSC-203819RefChem:162588
이름 더 보기
Ac-D-AlaAC-D-ALANINEN-Ac-D-Ala-OH(R)-N-Acetylalanine
243-066-8Ac-D-Ala-OH(R)-2-Acetamidopropanoic acid(2R)-2-acetamidopropanoic acidMFCD00063133N-acetyl-d-ala(R)-2-Acetylamino-propionic acidN-Acetyl D-alanine

데이터베이스 식별자

CAS
19436-52-3
PubChem CID
132213
DTXSID
DTXSID101315865
ChEMBL
CHEMBL143309
UNII
IIE41SBQ9L
EC Number
243-066-8
Nikkaji
J231.857A

물성

구조 계산 물성

XLogP
-0.9
극성 표면적
66.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
9

물리화학적 성질

녹는점
125 °C · 125 °C
끓는 점
369.7 · 369.7±25.0 °C(Predicted)
밀도
1.17 · 1.170
저장 조건
-20 °C · -20°C
용해도
1 % · Soluble in water or 1% acetic acid
산도 계수 (pKa)
3.69 · 3.69±0.10(Predicted)

화학적 성질

White crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

안전 데이터

wgk
3
HS 번호
2922498590
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도N-Acetyl-D-alanine may be used with other D-aminoacylated amino acids as a substrate for the identification, differentiation and characterization of D-aminoacylase(s)/amidohydrolase(s). N-acetyl-D-alanine may be used to study aglycon pocket specific binding on vancomycin.

상·하류 제품 정보

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

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3건

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