CAS 13374-31-7 Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)- (HCID 12228412)

기본 정보

CAS: 13374-31-7
표준 SMILES: Cl.N[C@@H]1CCCC[C@H]1O
InChIKey: LKKCSUHCVGCGFA-ATPDZTHWNA-N
분자식: C6H14ClNO
평균 분자량: 151.63 g/mol

이름 및 식별자

우선 이름: Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)-
IUPAC: trans-(1R,2R)-2-aminocyclohexan-1-ol;hydrochloride
영어명: trans-2-Aminocyclohexanol hydrochloride
분자식: C6H13NO.ClH
분자량: 151.63

이름 및 동의어

13374-31-7Cyclohexanol, 2-amino-, hydrochloride, (1R,2R)-rel-Cyclohexanol, 2-amino-, hydrochloride (1:1), (1R,2R)-RefChem:580633689-594-6trans-2-Aminocyclohexanol hydrochloride5456-63-3(1R,2R)-2-Aminocyclohexanol hydrochloride(1R,2R)-2-aminocyclohexan-1-ol hydrochloridetrans-2-Hydroxycyclohexylamine hydrochlorideMFCD09259962Cyclohexanol, 2-amino-, hydrochloride, (1R-trans)-

이름 더 보기

Trans-2-Aminocyclohexanol HClAminocyclohexanolHCl,trans-2-AMINOCYCLOHEXANOL(TRANS-2) HCLrans-2-AminocyclohexanolhydrochlorideTRANS- AMINOCYCLOHEXANOL HYDROCHLORIDEtrans-2-Aminocyclohexan-1-ol hydrochlorideTRNS-2-HYDROXYCYCLOHEXYLAMINE HYDROCHLORIDEtrans-2-Aminocyclohexanol hydrochloride,99%trans-2-AMinocyclohexanol hydrochloride 99%

[1S,2R]-trans-2-Aminocyclohexanol hydrochloride(1R,2R)-2-aminocyclohexan-1-ol;hydrochloride(1R,2R)-2-aminocyclohexanolhydrochloride(1R,2R)-rel-2-Aminocyclohexanol hydrochloride(1R, 2R)-2-Aminocyclohexanol hydrochloride(1R,2R)-2-Aminocyclohexanol HClSCHEMBL56158(1R,2R)-2-Aminocyclohexanol hydrochloride (1:1)

데이터베이스 식별자

CAS: 13374-31-7、5456-63-3
PubChem CID: 12228412
EC Number: 676-518-1、689-594-6

물성

구조 계산 물성

극성 표면적: 46.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 74.9

물리화학적 성질

녹는점: 172 · 172-175 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 25 mg/mL, · 용해성25mg/mL, 투명, 무색(메탄올 중 1N 아세트산)
물리적 상태: 결정성 분말
색상: 흰색 또는 베이지색에서 연한 갈색까지
수용성: 25 mg/mL, · soluble 25mg/mL, clear, colorless (1N acetic acid in methanol)
InChI: InChI=1/C6H13NO.ClH/c7-5-3-1-2-4-6(5)8;/h5-6,8H,1-4,7H2;1H/t5-,6-;/s3
InChIKey: LKKCSUHCVGCGFA-ATPDZTHWNA-N
SMILES: [C@H]1(N)CCCC[C@@H]1O.Cl |&1:0,6,r|

화학적 성질

white or beige to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

Aggregated GHS information provided per 143 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory InformationCyclohexanol, 2-amino-, hydrochloride, (1R,2R)-rel-: 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 Categories · 2건

Skin Irrit. 2 (100%)