Boc-N-메틸-DL-알라닌

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid

HCID 4436857

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13734-31-1
표준 SMILES: CC(C(=O)O)N(C)C(=O)OC(C)(C)C
InChIKey: VLHQXRIIQSTJCQ-UHFFFAOYSA-N
분자식: C9H17NO4
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.11575802

이름 및 식별자

우선 이름: 2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
IUPAC: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
현지명: Boc-N-메틸-DL-알라닌
영어명: Boc-N-Methyl-DL-alanine
분자식: C9H17NO4
분자량: 203.24

이름 및 동의어

2-{[(tert-butoxy)carbonyl](methyl)amino}propanoic acidN-[(1,1-Dimethylethoxy)carbonyl]-N-methylalanineN-((1,1-Dimethylethoxy)carbonyl)-N-methylalanine2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acidRefChem:447008832-947-813734-31-12-((tert-Butoxycarbonyl)(methyl)amino)propanoic acidN-Boc-N-methyl-DL-alanineBoc-N-methyl-DL-alanine2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic AcidMFCD00153297

이름 더 보기

Boc-N-메틸-DL-알라닌Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

Boc-Nalpha-methyl-L-alanineN-(tert-butoxycarbonyl)-N-methylalanine2-[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]PROPANOIC ACIDVLHQXRIIQSTJCQ-UHFFFAOYSA-NN-[(1,1-dimethylethoxy)carbonyl]-N-methyl-alanine; N-carboxy-N-methyl-DL-alanine N-tert-Butyl Ester; 2-[(tert-Butoxycarbonyl)(methyl)amino]propanoic Acid; N-tert-Butoxycarbonyl-N-methyl-DL-alanineboc-methyl-dl-alanineDL-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-Boc-N-methyl-D,L-alanine

데이터베이스 식별자

CAS: 13734-31-1
PubChem CID: 4436857
DTXSID: DTXSID001237961
EC Number: 832-947-8

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 231

물리화학적 성질

끓는 점: 296.3 · 296.3±19.0 °C(Predicted)
밀도: 1.111 · 1.111±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.03 · 4.03±0.10(Predicted)
물리적 상태: Solid
색상: White to off-white

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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