1-Aminocyclohexanecarboxylic acid

HCID 1366CAS 2756-85-6

기본 정보

표준 SMILES: NC1(C(=O)O)CCCCC1
InChIKey: WOXWUZCRWJWTRT-UHFFFAOYSA-N
분자식: C7H13NO2
평균 분자량: 143.18 g/mol
단동위원소 질량: 143.09462866

개요

1-amino-1-cyclohexanecarboxylic acid is an alpha-amino acid that is cyclohexanecarboxylic acid substituted by an amino group at position 1. It is functionally related to a cyclohexanecarboxylic acid.

이름 및 식별자

우선 이름: 1-Aminocyclohexanecarboxylic acid
IUPAC: 1-aminocyclohexane-1-carboxylic acid

이름 및 동의어

2756-85-61-Aminocyclohexanecarboxylic acidHomocycloleucine1-Aminocyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 1-amino-alpha-Aminocyclohexanecarboxylic acidalpha-Aminocyclohexanecarboxylic aicd1SE3HD391HNSC-9059DTXSID6062626RefChem:788453DTXCID1037692

이름 더 보기

220-411-01-Amino-1-cyclohexanecarboxylic acidMFCD000014871-Amino-1-cyclohexane carboxylic acid.alpha.-Aminocyclohexanecarboxylic acid1-aminocyclohexane carboxylic acid.alpha.-Aminocyclohexanecarboxylic aicd1-azaniumylcyclohexane-1-carboxylate

데이터베이스 식별자

CAS: 2756-85-6
PubChem CID: 1366
DTXSID: DTXSID6062626
ChEMBL: CHEMBL559934
ChEBI: CHEBI:86534
UNII: 1SE3HD391H
EC Number: 220-411-0
Nikkaji: J22.856G

물성

구조 계산 물성

XLogP: -1.9
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 139

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.