BOC-DL-2-아미노부티르산

2-(((Tert-butoxy)carbonyl)amino)butanoic acid

HCID 333522CAS 34306-42-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: PNFVIPIQXAIUAY-UHFFFAOYSA-N
분자식: C9H17NO4
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.11575802

이름 및 식별자

우선 이름: 2-(((Tert-butoxy)carbonyl)amino)butanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
현지명: BOC-DL-2-아미노부티르산
영어명: BOC-DL-2-AMINOBUTYRIC ACID
분자식: C9H17NO4
분자량: 203.24

이름 및 동의어

2-{[(tert-butoxy)carbonyl]amino}butanoic acid2-(((Tert-butoxy)carbonyl)amino)butanoic acidRefChem:447182962-244-277284-64-1Boc-DL-Abu-OH2-[(tert-Butoxycarbonyl)amino]butanoic acidDL-Boc-Aminobutyric acidMFCD002703582-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid2-(Boc-amino)butyric AcidButanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-

이름 더 보기

BOC-DL-2-아미노부티르산Boc-DL-2-AbuBOC-DL-2-AMINOBUTYRIC ACID2-(tert-butoxycarbonyl)butanoic acid2-Aminobutanoic acid, N-BOC protected(2R)-2-[(tert-butoxycarbonyl)amino]butanoate

2-((tert-Butoxycarbonyl)amino)butanoic acidNSC335382(R)-2-(tert-butoxycarbonylamino)butanoic acid2-(tert-butoxycarbonylamino)butanoic acidboc-2-aminobutyric acidboc-l-a-aminobutyric acidBoc-D-a-aminobutyric acidn-boc-2-aminobutyric acid

데이터베이스 식별자

CAS: 34306-42-8、77284-64-1
PubChem CID: 333522
DTXSID: DTXSID40318757
EC Number: 962-244-2

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 60 · 60-62 °C
끓는 점: 334.5 · 334.5±25.0 °C(Predicted)
밀도: 1.101 · 1.101±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4 · 4.00±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.