7-Aminoheptanoic acid

HCID 13580CAS 929-17-9

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCCCCCC(=O)O
InChIKey: XDOLZJYETYVRKV-UHFFFAOYSA-N
分子式: C7H15NO2
平均分子量: 145.2 g/mol
単同位体質量: 145.11027872

概要

7-Aminoheptanoic acid is a medium-chain fatty acid.

名称と識別子

優先名称: 7-Aminoheptanoic acid
IUPAC: 7-aminoheptanoic acid

名称と別名

7-Aminoheptanoic acid929-17-97-Aminoenanthic acidHEPTANOIC ACID, 7-AMINO-omega-Aminoenantic acidomega-Aminoheptanoic acidB10HJX2T48NSC-59008DTXSID102391827-AHpARefChem:168202DTXCID30161673

名称をさらに表示

213-197-57-Amino-heptanoic acidAmino-enanthylic acidMFCD00008242Kyselina 7-aminoenanthova4-04-00-02791 (Beilstein Handbook Reference)EN300-17159Aminoenanthic acid

データベース識別子

CAS: 929-17-9
PubChem CID: 13580
DTXSID: DTXSID10239182
ChEMBL: CHEMBL1229507
ChEBI: CHEBI:181436
UNII: B10HJX2T48
EC Number: 213-197-5
Nikkaji: J63.331C

物性

構造計算による物性

XLogP: -3
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 10
形式電荷: 0
複雑度: 93.6

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H315 (80%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.