CAS 65915-94-8 tert-Butyl (6-aminohexyl)carbamate monohydrochloride (HCID 3017638)

기본 정보

CAS: 65915-94-8
표준 SMILES: CC(C)(C)OC(=O)NCCCCCCN.Cl
InChIKey: JSBWQIZQJOQPFN-UHFFFAOYSA-N
분자식: C11H25ClN2O2
평균 분자량: 252.78 g/mol
단동위원소 질량: 252.1604557

이름 및 식별자

우선 이름: tert-Butyl (6-aminohexyl)carbamate monohydrochloride
IUPAC: tert-butyl N-(6-aminohexyl)carbamate;hydrochloride
영어명: N-Boc-1,6-diamino-hexane hydrochloride
분자식: C11H25ClN2O2
분자량: 252.78

이름 및 동의어

EINECS 265-976-4tert-Butyl (6-aminohexyl)carbamate HCltert-Butyl (6-aminohexyl)carbamate monohydrochlorideRefChem:891926265-976-465915-94-8N-Boc-1,6-hexanediamine hydrochloridetert-Butyl (6-aminohexyl)carbamate hydrochlorideN-Boc-1,6-diamino-hexane hydrochlorideN-BOC-1,6-HEXANEDIAMINE HCLMFCD00039072tert-butyl N-(6-aminohexyl)carbamate;hydrochloride

이름 더 보기

BOC-HMD HCLTIMTEC-BB SBB003133RARECHEM AR PA 0024BOC-NH(CH2)6NH2 HCLBOC-DIAMINOHEXANE HCLBOC-1,6-DIAMINOHEXANE HCLN-T-BOC-1,6-DIAMINOHEXANE HCLN-1-BOC-1,6-DIAMINOHEXANE HCLN-T-BOC-HEXAMETHYLENDIAMINE HCL

n-boc-1,6-diaminohexane hydrochlorideBoc-1,6-Diaminohexane inverted exclamation mark currencyHClN-1-Boc-1,6-diaminohexane . HCltert-Butyl N-(6-aminohexyl)carbamate hydrochlorideN-(6-aminohexyl)(tert-butoxy)carboxamide, chlorideBoc-1,6-Diaminohexane HydrochlorideBoc-NH(CH2)6NH2.HClC11H25ClN2O2

데이터베이스 식별자

CAS: 65915-94-8
PubChem CID: 3017638
DTXSID: DTXSID80984394
EC Number: 265-976-4

물성

구조 계산 물성

극성 표면적: 64.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 16
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 162 · 162-164 °C(lit.)
저장 조건: 2 · 2-8°C
물리적 상태: 결정성 분말
색상: 흰색에서 크림색으로
BRN: 3631740 · 3631740
InChI: 1S/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H
InChIKey: JSBWQIZQJOQPFN-UHFFFAOYSA-N
SMILES: NCCCCCCNC(OC(C)(C)C)=O.[H]Cl

화학적 성질

White to cream colored crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.