tert-butyl N-methyl-N-(3-(methylamino)propyl)carbamate

HCID 17868293CAS 123183-72-2

기본 정보

표준 SMILES: CNCCCN(C)C(=O)OC(C)(C)C
InChIKey: QRXUKURKZNOVAF-UHFFFAOYSA-N
분자식: C10H22N2O2
평균 분자량: 202.29 g/mol

이름 및 식별자

우선 이름: tert-butyl N-methyl-N-(3-(methylamino)propyl)carbamate
IUPAC: tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamate
영어명: tert-butyl methyl(3-(methylamino)propyl)carbamate
분자식: C10H22N2O2
분자량: 202.29

이름 및 동의어

123183-72-2tert-butyl N-methyl-N-[3-(methylamino)propyl]carbamatetert-butyl N-methyl-N-(3-(methylamino)propyl)carbamateRefChem:896437821-984-5tert-butyl methyl(3-(methylamino)propyl)carbamateMFCD141558323-(N-Boc-N-methylamino)-1-(methylamino)propaneN-Boc-N1,N3-dimethylpropane-1,3-diaminetert-butyl methyl[3-(methylamino)propyl]carbamateSCHEMBL380584orb3176926

이름 더 보기

Methyl-(3-methylamino-propyl)-carbamic acid tert-butyl esterN-methyl-N-[3-(methylamino)propyl]aminomacetic acidtertbutyl esterCarbamic acid, methyl[3-(methylamino)propyl]-, 1,1-dimethylethyl ester

QRXUKURKZNOVAF-UHFFFAOYSA-NYEA18372AKOS017560456Carbamic acid, N-methyl-N-[3-(methylamino)propyl]-, 1,1-dimethylethyl estermono Boc-N,N'-dimethyl propanediamineBS-52401DA-47003SY011857

데이터베이스 식별자

CAS: 123183-72-2
PubChem CID: 17868293
EC Number: 821-984-5

물성

구조 계산 물성

XLogP: 1
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 175

물리화학적 성질

끓는 점: 265.5 · 265.5±19.0 °C(Predicted)
밀도: 0.948 · 0.948±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.46 · 10.46±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.