tert-Butyl (3-aminopropyl)carbamate

HCID 2735700CAS 75178-96-0

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCCN
InChIKey: POHWAQLZBIMPRN-UHFFFAOYSA-N
분자식: C8H18N2O2
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.13682782

이름 및 식별자

우선 이름: tert-Butyl (3-aminopropyl)carbamate
IUPAC: tert-butyl N-(3-aminopropyl)carbamate
영어명: N-Boc-1,3-propanediamine
분자식: C8H18N2O2
분자량: 174.24

이름 및 동의어

75178-96-0tert-Butyl (3-aminopropyl)carbamateRefChem:891792628-600-3N-Boc-1,3-propanediamineN-Boc-1,3-diaminopropanetert-Butyl N-(3-aminopropyl)carbamateN-(3-Aminopropyl)carbamic Acid tert-Butyl Estertert-butyl 3-aminopropylcarbamateMFCD002100211-boc-amino-1,3-propanediamineN-(tert-Butoxycarbonyl)-1,3-propanediamine

이름 더 보기

Boc-DAPN-Boc-1,3-propanediaMine (N-Boc-1,3-diaMinopropaneG1-12AURORA KA-4396BUTTPARK 27\08-80T BOC PROPANAMINE

tert-butyl(3-aminopropyl)carbamateN1-BOC-1,3-PROPANEDIAMINEN-(tert-Butoxycarbonyl)-1,3-diaminopropaneN-(3-Aminopropyl)carbamic acid tertbutylester(3-amino-propyl)-carbamic acid tert-butyl ester3-tert-butyloxycarbonylaminopropylamine3-aminopropylcarbamic acid tert-butyl esterCARBAMIC ACID, (3-AMINOPROPYL)-, 1,1-DIMETHYLETHYL ESTER

데이터베이스 식별자

CAS: 75178-96-0
PubChem CID: 2735700
DTXSID: DTXSID60370892
EC Number: 628-600-3
Nikkaji: J1.093.356K

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 22 °C · 22 °C (lit.)
끓는 점: 203 °C · 203 °C (lit.)
밀도: 0.998 g/mL · 0.998 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.454(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올과 혼합 가능.
산도 계수 (pKa): 12.73 · 12.73±0.46(Predicted)
물리적 상태: 액체
Specific Gravity: 0.998 · 0.998
색상: 무색의
BRN: 3588328 · 3588328
InChI: 1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKey: POHWAQLZBIMPRN-UHFFFAOYSA-N
SMILES: NCCCNC(OC(C)(C)C)=O

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (83.6%): 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 55 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.