Methyl D-valinate hydrochloride

HCID 11984198

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7146-15-8
표준 SMILES: COC(=O)[C@H](N)C(C)C.Cl
InChIKey: KUGLDBMQKZTXPW-NUBCRITNSA-N
분자식: C6H14ClNO2
평균 분자량: 167.63 g/mol
단동위원소 질량: 167.07130637

이름 및 식별자

우선 이름: Methyl D-valinate hydrochloride
IUPAC: methyl (2R)-2-amino-3-methylbutanoate;hydrochloride
영어명: Methyl D-valinate hydrochloride
분자식: C6H14ClNO2
분자량: 167.63

이름 및 동의어

Methyl D-valinate hydrochlorideMethyl D-valinate HClEINECS 230-454-7DTXSID60221673NSC 22921RefChem:817708DTXCID90144164230-454-77146-15-8D-Valine methyl ester hydrochlorideH-D-Val-OMe.HCl21685-47-2

이름 더 보기

D-Val-OMe·HClD-VALINE-OME HCLH-N-Me-Val-OH·HClmethyl 2-azanyl-3-methyl-butanoate

H-D-VAL-OME HCLMFCD00237309D-Valine methyl ester HClO-Methyl-D-valine (hydrochloride)(R)-Methyl 2-amino-3-methylbutanoate hydrochloridemethyl (2R)-2-amino-3-methylbutanoate hydrochloridemethyl (2R)-2-amino-3-methylbutanoate;hydrochlorideH-D-Val-OMe

데이터베이스 식별자

CAS: 7146-15-8
PubChem CID: 11984198
DTXSID: DTXSID60221673
EC Number: 230-454-7

물성

구조 계산 물성

극성 표면적: 52.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

물리화학적 성질

녹는점: 170 °C · ~170 °C (dec.)
굴절률: -15 ° · -15 ° (C=2, H2O)
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 용해됨
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 가루
색상: 하얀색
BRN: 3912091 · 3912091
주요 응용: 펩타이드 합성
InChI: InChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/s3
InChIKey: KUGLDBMQKZTXPW-JEDNCBNOSA-N
SMILES: C(OC)(=O)[C@@H](C(C)C)N.[H]Cl |&1:4,r|

화학적 성질

Crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29241990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도D-Valine methyl ester hydrochloride is a protected form of D-Valine (V094200). D-Valine (an isomer of the essential amino acid L-Valine [V094205])exhibited inhibitory effects on fibroblasts that contaminated mammalian kidney cultures, allowing for selective growth epithelial cells. D-Valine is also known for its presence in the structure of Actinomycin D, an antitumour drug. D-Valine is naturally synthesized by Streptomyces antibioticus.