CIS-3-아미노사이클로헥산카복실리카시드

rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acid

HCID 7005079CAS 16636-51-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N[C@@H]1CCC[C@H](C(=O)O)C1
InChIKey: CKTUXQBZPWBFDX-RITPCOANSA-N
분자식: C7H13NO2
평균 분자량: 143.18 g/mol

이름 및 식별자

우선 이름: rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acid
IUPAC: cis-(1S,3R)-3-aminocyclohexane-1-carboxylic acid
현지명: CIS-3-아미노사이클로헥산카복실리카시드
영어명: (1R,3S)-3-Aminocyclohexanecarboxylic Acid
분자식: C7H13NO2
분자량: 143.18

이름 및 동의어

rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acidRefChem:873056819-557-381131-40-0(1S,3R)-3-Aminocyclohexanecarboxylic Acid(1S,3R)-3-aminocyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 3-amino-, (1S-cis)- (9CI)MFCD09753648ACHCcis-3-aminocyclohexane carboxylic acidcis-3-amino-cyclohexanecarboxlic acidcis-3-amino-cyclohexanecarboxylic acid

이름 더 보기

CIS-3-아미노사이클로헥산카복실리카시드(1R,3S)-3-aminocyclohexane-1-carboxylic acidCIS-3-AMINOCYCLOHEXANECARBOXYLICACID14cis-3-aminocyclohexanecarboxylic acidcis-3-Aminocyclohexane-1-carboxylicacid(1R,3S)-3-AMINOCYCLOHEXANECARBOXYLIC ACIDcis-3-Aminocyclohexanecarboxylic Acid >cis-3-Aminocyclohexanecarboxylic Acid(1R,3S)-rel-3-Aminocyclohexanecarboxylic acidrel-(1R,3S)-3-aminocyclohexane-1-carboxylic acid

CS-0143878EN300-153717(1S,3R)-3-AminocyclohexanecarboxylicAcidSCHEMBL1527350AKOS016844356(1S,3R)-Aminocyclohexanecarboxylic AcidAS-49896SY031177

데이터베이스 식별자

CAS: 16636-51-4
PubChem CID: 7005079
EC Number: 819-557-3
Nikkaji: J231.873C

물성

구조 계산 물성

XLogP: -2.2
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: 136

물리화학적 성질

녹는점: 278 °C · 278 °C
끓는 점: 280 · 280.0±33.0 °C(Predicted)
밀도: 1.133 · 1.133±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: 물에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.99 · 3.99±0.10(Predicted)
색상: 흰색에서 거의 흰색

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2922.49.8000

화학 및 산업

응용 분야 · 1건

용도(1R,3S)-3-Aminocyclohexanecarboxylic Acid is a kind of organic reagent, the structure of cyclohexane on 1 and 3 H atom replaced by carboxyl and amino. It is prone to esterification reactions and can be used as a synthetic intermediate to participate in the preparation of various compounds.