Heptaminol Hydrochloride

HCID 10969CAS 543-15-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(N)CCCC(C)(C)O.Cl
InChIKey: JZNBMCOSOXIZJB-UHFFFAOYSA-N
분자식: C8H19NO.ClH
평균 분자량: 181.7 g/mol
단동위원소 질량: 181.12334194

개요

See also: Heptaminol (has active moiety).

이름 및 식별자

우선 이름: Heptaminol Hydrochloride
IUPAC: 6-amino-2-methylheptan-2-ol;hydrochloride

이름 및 동의어

Heptaminol hydrochloride543-15-76-Amino-2-methyl-2-heptanol hydrochlorideCardiosintolCortensorCorasorHeptylonIsoktamilIzoktamilRespirinEodenHeptamyl hydrochloride

이름 더 보기

Heptamyl2-HEPTANOL, 6-AMINO-2-METHYL-, HYDROCHLORIDE2-Methyl-6-amino-2-heptanol hydrochlorideDTXSID9045891XB3RM40HIR6-Methyl-2-amino-6-heptanol hydrochlorideNSC-7584062831RP

데이터베이스 식별자

CAS: 543-15-7
PubChem CID: 10969
DTXSID: DTXSID9045891
ChEMBL: CHEMBL2107282
UNII: XB3RM40HIR
EC Number: 208-837-5

물성

구조 계산 물성

극성 표면적: 46.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 91.3

실험 및 물리화학적 성질

Collision Cross Section132.2 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Heptanol, 6-amino-2-methyl-, hydrochloride

Heptaminol hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (80%)