CAS 87530-14-1 tert-butyl N-{3-[(3-aminopropyl)(methyl)amino]propyl}carbamate (HCID 12983660)

기본 정보

CAS: 87530-14-1
표준 SMILES: CN(CCCN)CCCNC(=O)OC(C)(C)C
InChIKey: FXXUDMOOSAJDHQ-UHFFFAOYSA-N
분자식: C12H27N3O2
평균 분자량: 245.36 g/mol

이름 및 식별자

우선 이름: tert-butyl N-{3-[(3-aminopropyl)(methyl)amino]propyl}carbamate
IUPAC: tert-butyl N-[3-[3-aminopropyl(methyl)amino]propyl]carbamate
현지명: {3-[(3-아미노-프로필)-메틸-아미노]-프로필}-카르바민산tert-부틸에스테르
영어명: {3-[(3-AMino-propyl)-Methyl-aMino]-propyl}-carbaMic acid tert-butyl ester
분자식: C12H27N3O2
분자량: 245.37

이름 및 동의어

87530-14-1tert-Butyl n-(3-[(3-aminopropyl)(methyl)amino]propyl)carbamateTERT-BUTYL N-{3-[(3-AMINOPROPYL)(METHYL)AMINO]PROPYL}CARBAMATEtert-butyl N-(3-((3-aminopropyl)(methyl)amino)propyl)carbamateRefChem:895797871-152-0tert-Butyl (3-((3-aminopropyl)(methyl)amino)propyl)carbamate{3-[(3-Amino-propyl)-methyl-amino]-propyl}-carbamic acid tert-butyl esterMFCD22565676tert-butyl N-[3-[3-aminopropyl(methyl)amino]propyl]carbamateCarbamic acid, [3-[(3-aminopropyl)methylamino]propyl]-,1,1-dimethylethyl esterorb3175672

이름 더 보기

{3-[(3-아미노-프로필)-메틸-아미노]-프로필}-카르바민산tert-부틸에스테르2-Methyl-2-propanyl {3-[(3-aminopropyl)(methyl)amino]propyl}carbamateN-(3-AMINOPROPYL)-N-(3-TERT-BUTYLOXYCARBONYL-AMINOPROPYL)-N-METHYLAMINE(3- ((3-aminopropyl) (methyl) amino) propyl) carbamate tert butyl ester "Carbamic acid, N-[3-[(3-aminopropyl)methylamino]propyl]-, 1,1-dimethylethyl ester

SCHEMBL3112707FXXUDMOOSAJDHQ-UHFFFAOYSA-NBoc-di-(3-aminopropyl)methylamineMDA53014AKOS027439778AT29290BS-32961DB-199199

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 67.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 9
무거운 원자 수: 17
형식 전하: 0
복잡도: 214

물리화학적 성질

끓는 점: 190 °C · 190 °C(Press: 5.6e-3 Torr)
밀도: 0.981 · 0.981±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 12.96 · 12.96±0.46(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.