Heptaminol Hydrochloride

HCID 10969CAS 543-15-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(N)CCCC(C)(C)O.Cl
InChIKey: JZNBMCOSOXIZJB-UHFFFAOYSA-N
分子式: C8H19NO.ClH
平均分子量: 181.7 g/mol
単同位体質量: 181.12334194

概要

See also: Heptaminol (has active moiety).

名称と識別子

優先名称: Heptaminol Hydrochloride
IUPAC: 6-amino-2-methylheptan-2-ol;hydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 46.3 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 11
形式電荷: 0
複雑度: 91.3

実験および物理化学的性質

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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)