3-아미노-1-Boc-3-메틸피르…

tert-Butyl 3-amino-3-methylpyrrolidine-1-carboxylate

HCID 57415917

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1158758-59-8
표준 SMILES: CC1(N)CCN(C(=O)OC(C)(C)C)C1
InChIKey: KYRWEDDXBNZACB-UHFFFAOYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247789

이름 및 식별자

우선 이름: tert-Butyl 3-amino-3-methylpyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate
현지명: 3-아미노-1-Boc-3-메틸피르…
영어명: 1-Pyrrolidinecarboxylic acid, 3-amino-3-methyl-, 1,1-dimethylethyl ester
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

1158758-59-8tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylateDTXSID90725598RefChem:383357DTXCID80676343837-999-53-AMINO-1-BOC-3-METHYLPYRROLIDINETERT-BUTYL 3-AMINO-3-METHYL-PYRROLIDINE-1-CARBOXYLATEMFCD124085441-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-3-METHYL-, 1,1-DIMETHYLETHYL ESTER115875-85-9SCHEMBL358661

이름 더 보기

3-아미노-1-Boc-3-메틸피르…1-Boc-3-amino-3-methyl-pyrrolidine1,1-Dimethylethyl 3-amino-3-methyl-1-pyrrolidinecarboxylate

KYRWEDDXBNZACB-UHFFFAOYSA-N3-Amino-1-Boc-3-methylpyr...NPC72123SXC78907AKOS015949547PB19280AS-33668DA-47714

데이터베이스 식별자

CAS: 1158758-59-8
PubChem CID: 57415917
DTXSID: DTXSID90725598
EC Number: 837-999-5

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 235

물리화학적 성질

끓는 점: 263.2 · 263.2±33.0 °C(Predicted)
밀도: 1.037 · 1.037±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.55 · 9.55±0.20(Predicted)

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)

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