2-(아미노메틸)-1-N-Boc-피롤리딘

(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine

HCID 2756484

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 177911-87-4
표준 SMILES: CC(C)(C)OC(=O)N1CCCC1CN
InChIKey: SOGXYCNKQQJEED-UHFFFAOYSA-N
분자식: C10H20N2O2
평균 분자량: 200.28 g/mol
단동위원소 질량: 200.15247788

이름 및 식별자

우선 이름: (+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine
IUPAC: tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
현지명: 2-(아미노메틸)-1-N-Boc-피롤리딘
영어명: 2-(Aminomethyl)-1-N-Boc-pyrrolidine
분자식: C10H20N2O2
분자량: 200.28

이름 및 동의어

RefChem:390817(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine672-190-9177911-87-4Tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate2-(Aminomethyl)-1-N-Boc-pyrrolidine1-boc-2-(aminomethyl)pyrrolidine(+/-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine1-boc-2-aminomethyl-pyrrolidineMFCD013177931-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-, 1,1-dimethylethyl ester1-boc-2-(aminomethylpyrrolidine)

이름 더 보기

2-(아미노메틸)-1-N-Boc-피롤리딘()-2-(AMINOMETHYL)-1-BOC-PYRROLIDIN(+/-)-2-(AMINOMETHYL)-1-BOC-PYRROLIDINETert-Butyl-2-(Aminomethyl)Pyrrolidine-1-C2-(Aminomethyl)pyrrolidine, N1-BOC protected1-Boc-2-(aminomethyl)pyrrolidin/177911-87-4/97%2-(Aminomethyl)pyrrolidine, N1-BOC protected 98%

1-n-boc-2-(aminomethyl)pyrrolidine2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester(S)-2-(Aminomethyl)-1-Boc-pyrrolidine1-boc-(aminomethyl)pyrrolidine1-boc-2-aminomethylpyrrolidine1-boc-2-aminomethyl-pyrrolidine-SCHEMBL205359SCHEMBL3934343

데이터베이스 식별자

CAS: 177911-87-4
PubChem CID: 2756484
DTXSID: DTXSID60373388
ChEMBL: CHEMBL4586493
EC Number: 672-190-9
Nikkaji: J2.149.685E

물성

구조 계산 물성

XLogP: 0.7
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: 1.014 g/mL · 1.014 g/mL at 25 °C
굴절률: 20 · n20/D1.472
인화점: 110 ℃ · >110℃
저장 조건: 2 · 2-8°C
물리적 상태: liquid
산도 계수 (pKa): 9.91 · 9.91±0.29(Predicted)
InChI: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3
InChIKey: SOGXYCNKQQJEED-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCCC1CN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.