(R)-N-Boc-3-(아미노메틸)피롤리딘

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

HCID 1515152

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 199174-29-3
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@H](CN)C1
InChIKey: OGCCBDIYOAFOGK-MRVPVSSYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247789

이름 및 식별자

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

이름 및 동의어

199174-29-3tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylateDTXSID20363902RefChem:383007DTXCID10314948635-406-2(R)-1-Boc-3-(aminomethyl)pyrrolidine(r)-n-boc-3-(aminomethyl)pyrrolidine(r)-tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate(R)-3-(Aminomethyl)-1-N-Boc-pyrrolidineMFCD03844734(r)-1-n-boc-3-(aminomethyl)pyrrolidine

이름 더 보기

(R)-N-Boc-3-(아미노메틸)피롤리딘REF DUPL: (R)-3-(Amin(R)-1-Boc-3-(aminomethyl)...(3R)-3-Aminomethyl-1-Boc-pyrrolidine(R)-3-(Aminomethyl)-N-Bocpyrrolidine(R)-3-(Aminomethyl)-1-Boc-pyrrolidine

(r)-3-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester(r)-3-aminomethyl-1-n-boc-pyrrolidine3(r)-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester(r)-1-boc-3-aminomethylpyrrolidinetert-butyl (R)-3-(aminomethyl)pyrrolidine-1-carboxylateSCHEMBL321665CS-D0668AKOS005259667

데이터베이스 식별자

CAS: 199174-29-3
PubChem CID: 1515152
DTXSID: DTXSID20363902
EC Number: 635-406-2

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

끓는 점: 280.3 · 280.3±13.0 °C(Predicted)
밀도: 1.044 · 1.044±0.06 g/cm3(Predicted)
굴절률: 1.478 · 1.4780
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.12 · 10.12±0.29(Predicted)
물리적 상태: 액체
색상: 무색~황색
BRN: 10537871 · 10537871
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7,11H2,1-3H3/t8-/m1/s1
InChIKey: OGCCBDIYOAFOGK-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@H](CN)C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 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.