부탄산,3-aMino-,메틸에스테르,염산염,(R)-

methyl (3R)-3-aminobutanoate hydrochloride

HCID 53487347
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
139243-54-2
표준 SMILES
COC(=O)C[C@@H](C)N.Cl
InChIKey
YNRQJTGGWNTZLJ-PGMHMLKASA-N
분자식
C5H12ClNO2
평균 분자량
153.61 g/mol
단동위원소 질량
153.0556563

이름 및 식별자

우선 이름
methyl (3R)-3-aminobutanoate hydrochloride
IUPAC
methyl (3R)-3-aminobutanoate;hydrochloride
현지명
부탄산,3-aMino-,메틸에스테르,염산염,(R)-
영어명
Butanoic acid, 3-aMino-, Methyl ester, hydrochloride, (R)-
분자식
C5H12ClNO2
분자량
153.61

이름 및 동의어

139243-54-2methyl (3R)-3-aminobutanoate hydrochlorideRefChem:812291816-356-2(R)-Methyl 3-aminobutanoate hydrochlorideMFCD12068616Methyl (R)-homo-beta-alaninate HClmethyl (3R)-3-aminobutanoate;hydrochlorideButanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3R)-Methyl (R)-3-Aminobutanoate HydrochlorideButanoic acid, 3-amino-, methyl ester, hydrochloride, (R)-R-3-amino-Butanoic acid methyl ester hydrochloride
이름 더 보기
부탄산,3-aMino-,메틸에스테르,염산염,(R)-R-3-ABU-OME HCl(R)-β-HomoAla-OMe.HCl(3R)-Methyl 3-aminobutanoate HCl(R)-3-AMINO-BUTYRIC ACID METHYL ESTER HClMethyl (R)-Homo-Beta-Alaninate Hydrochloride
(R)-3-aminobutanoic acid methyl ester hydrochlorideSCHEMBL7327737YNRQJTGGWNTZLJ-PGMHMLKASA-NMethyl (3R)-3-aminobutanoate HClPFA24354AKOS025405204(R)-Methyl3-aminobutanoatehydrochlorideDS-9006

데이터베이스 식별자

CAS
139243-54-2
PubChem CID
53487347
EC Number
816-356-2

물성

구조 계산 물성

극성 표면적
52.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
9

물리화학적 성질

저장 조건
Sealed in dry,Room Temperature
InChI
InChI=1/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/s3
InChIKey
YNRQJTGGWNTZLJ-NDILARRWNA-N
SMILES
C(=O)(OC)C[C@H](N)C.Cl |&1:5,r|

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2922498590

화학 및 산업

상·하류 제품 정보

공급사75 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…