N-BOC-사이클로프로필-DL-알라닌

2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acid

HCID 4712522CAS 888323-62-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
InChIKey
GKRRTFCDSZGFSZ-UHFFFAOYSA-N
분자식
C11H19NO4
평균 분자량
229.27 g/mol
단동위원소 질량
229.13140809

이름 및 식별자

우선 이름
2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acid
IUPAC
3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
현지명
N-BOC-사이클로프로필-DL-알라닌
영어명
N-Boc-cyclopropyl-DL-alanine
분자식
C11H19NO4
분자량
229.27

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acid2-(((Tert-butoxy)carbonyl)amino)-3-cyclopropylpropanoic acidRefChem:447130675-900-5888323-62-4N-Boc-cyclopropyl alanine2-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acidN-BOC-CYCLOPROPYL-DL-ALANINEboc-3-cyclopropylalanineDL-Boc-cyclopopylalanineMFCD080612393-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
이름 더 보기
N-BOC-사이클로프로필-DL-알라닌N-(tert-butoxycarbonyl)-3-cyclopropylalanine2-(tert-butoxycarbonylaMino)-3-cyclopropylpropanoic acid2-(1-(tert-butoxycarbonyl)cyclopropylamino)propanoic acid2-{[(tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acidCyclopropanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
BOC-L-Cyclopropylalanine(2R)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidref dupl: n-boc-cyclopropyl alanineboc-l-ala(3-cyclopropyl)DL-Boc-3-CyclopropylalanineSCHEMBL956167(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylpropanoic acidN-Boc-RS-3-Cyclopropylalanine

데이터베이스 식별자

CAS
888323-62-4、89483-08-9
PubChem CID
4712522
DTXSID
DTXSID90405727
EC Number
182-998-9、675-900-5

물성

구조 계산 물성

XLogP
2
극성 표면적
75.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
16

물리화학적 성질

끓는 점
377.2 · 377.2±25.0 °C(Predicted)
밀도
1.162 · 1.162±0.06 g/cm3(Predicted)
저장 조건
Store at room temperature
산도 계수 (pKa)
4 · 4.00±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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 3 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 Categories · 2건

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2922498590

화학 및 산업

공급사38 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]

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