(R)-1-Boc-3-(아미노메틸)피롤리딘

tert-Butyl 3-(aminomethyl)pyrrolidine-1-carboxylate

HCID 2756485

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 270912-72-6
표준 SMILES: CC(C)(C)OC(=O)N1CCC(CN)C1
InChIKey: OGCCBDIYOAFOGK-UHFFFAOYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247788

이름 및 식별자

우선 이름: tert-Butyl 3-(aminomethyl)pyrrolidine-1-carboxylate
IUPAC: tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate
현지명: (R)-1-Boc-3-(아미노메틸)피롤리딘
영어명: tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

270912-72-6Tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylateDTXSID20373389RefChem:383315DTXCID10324421672-189-31-boc-3-(aminomethyl)pyrrolidine3-(Aminomethyl)-1-N-BOC-pyrrolidine1-boc-3-aminomethyl-pyrrolidine1-PYRROLIDINECARBOXYLIC ACID, 3-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTERMFCD018617981-boc-3-aminomethylpyrrolidine

이름 더 보기

(R)-1-Boc-3-(아미노메틸)피롤리딘3-Aminomethyl-1-N-BOC-Pyrolidine1-Boc-3-aminomethyl-pyrrolidine-1-tert-Butoxycarbonyl-3-(aminometh1-N-BOC-3-(AMINOMETHYL)PYRROLIDINE3-(Aminomethyl)pyrrolidine, N1-BOC protected1-tert-Butoxycarbonyl-3-(aminomethyl)pyrrolidine

3-aminomethylpyrrolidine-1-carboxylic acid tert-butyl ester(+/-)-3-Aminomethyl-1-N-Boc-Pyrrolidine3-aminomethyl-1-boc-pyrrolidine3-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester(S)-3-(AMINOMETHYL)-1-(TERT-BUTOXYCARBONYL)PYRROLIDINE1Boc-3-aminomethylpyrrolidineSCHEMBL3465041-N-Boc-3-aMinoMethypylrrolidine

데이터베이스 식별자

CAS: 270912-72-6
PubChem CID: 2756485
DTXSID: DTXSID20373389
EC Number: 672-189-3
Nikkaji: J2.149.683I

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: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

물리화학적 성질

녹는점: 206 · 206-210°C
끓는 점: 280.3 · 280.3±13.0 °C(Predicted)
밀도: 1.044 · 1.044±0.06 g/cm3(Predicted)
굴절률: 1.474 · 1.4740
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.12 · 10.12±0.29(Predicted)
물리적 상태: solid
InChI: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKey: OGCCBDIYOAFOGK-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCC(CN)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.