CAS 108575-32-2 3-Methyl-1-pentyn-3-amine hydrochloride (HCID 12232990)

기본 정보

CAS: 108575-32-2
표준 SMILES: C#CC(C)(N)CC.Cl
InChIKey: SKTAYCACHOHBEU-UHFFFAOYSA-N
분자식: C6H12ClN
평균 분자량: 133.62 g/mol
단동위원소 질량: 133.06582706

이름 및 식별자

우선 이름: 3-Methyl-1-pentyn-3-amine hydrochloride
IUPAC: 3-methylpent-1-yn-3-amine;hydrochloride
현지명: 3-아미노-3-메틸-1-펜타인HCL
영어명: 3-AMINO-3-METHYL-1-PENTYNE HCL
분자식: C6H12ClN
분자량: 133.61918

이름 및 동의어

3-methyl-1-pentyn-3-amine hydrochlorideRefChem:503494631-243-6108575-32-23-methylpent-1-yn-3-amine hydrochloride3-amino-3-methyl-1-pentyne hydrochloride3-amino-3-methyl-1-pentyne hclMFCD097498293-methylpent-1-yn-3-amine;hydrochloride1-Ethyl-1-methyl-prop-2-ynylamine hydrochloride1-Pentyn-3-amine, 3-methyl-, hydrochlorideSCHEMBL7026896

이름 더 보기

3-아미노-3-메틸-1-펜타인HCL1-Pentyn-3-aMine,3-Methyl-, hydrochloride3-Methyl-1-pentyn-3-amine hydrochloride 97%3-amino-3-methyl-1-pentyne HCl, CAS 108575-32-2

SCHEMBL7685421DTXSID00481613SKTAYCACHOHBEU-UHFFFAOYSA-NAKOS015919788AC-9136CS-W0036363-methylpent-1-yn-3-aminehydrochloride3-amino-3-methyl 1-pentyne hydrochloride

데이터베이스 식별자

CAS: 108575-32-2
PubChem CID: 12232990
DTXSID: DTXSID00481613
EC Number: 631-243-6

물성

구조 계산 물성

극성 표면적: 26 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 98

물리화학적 성질

녹는점: 245 · 245-250°C (decomposition) &_& 275°C (dec.) (lit.)
저장 조건: 2 · 2-8°C
물리적 상태: powder
InChI: 1S/C6H11N.ClH/c1-4-6(3,7)5-2;/h1H,5,7H2,2-3H3;1H
InChIKey: SKTAYCACHOHBEU-UHFFFAOYSA-N
SMILES: Cl.CCC(C)(N)C#C

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.