1,3-Cyclohexanediamine

HCID 18814CAS 3385-21-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CCCC(N)C1
InChIKey: GEQHKFFSPGPGLN-UHFFFAOYSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569845

개요

See also: 1,3-Diaminocyclohexane, trans- (annotation moved to).

이름 및 식별자

우선 이름: 1,3-Cyclohexanediamine
IUPAC: cyclohexane-1,3-diamine
영어명: 1,3-Diaminocyclohexane
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

3385-21-51,3-CYCLOHEXANEDIAMINE1,3-DiaminocyclohexaneCyclohex-1,3-ylenediamineCCRIS 6679EINECS 222-194-8DTXSID10863163TL4XC50613HMPD Technical1,3diaminocyclohexaneCyclohex1,3ylenediamineJ23.475C

이름 더 보기

,3-Diaminocyclohexane1,3-Cyclohexanediamine (3-ammoniocyclohexyl)ammonium1,3-CyclohexanediaMine, 95%, 95%3-Cyclohexanediaminecis/transmixt1,3-Cyclohexylenediamine（1,3-DCH）

RefChem:414169Hydrogenated mPhenylenediamineDTXCID50811825222-194-8cyclohexane-1,3-diamineMFCD0005956326883-70-5UNII-TL4XC50613

데이터베이스 식별자

CAS: 3385-21-5
PubChem CID: 18814
DTXSID: DTXSID10863163
EC Number: 222-194-8
Nikkaji: J23.475C

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 64.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

Physical DescriptionColorless liquid with an ammoniacal odor; [DuPont MSDS]

물리화학적 성질

끓는 점: 194 °C · 194°C(lit.)
밀도: 0.95 · 0.95
굴절률: 1.49 · 1.49
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.7 · 10.70±0.70(Predicted)
물리적 상태: 액체
색상: 맑은 연한 노란색
Specific Gravity: 0.95 · 0.95
InChI: InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2
InChIKey: GEQHKFFSPGPGLN-UHFFFAOYSA-N
SMILES: C1(N)CCCC(N)C1
EPA: 1 · 1,3-Cyclohexanediamine (3385-21-5)

화학적 성질

Clear pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

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

유해성 정보

Hazards SummaryCauses convulsions in oral lethal-dose studies of rats and mice; [RTECS] Causes burns; Inhalation may cause nose and throat irritation; [DuPont MSDS] See Cyclohexylamine.

Hazard Classes and CategoriesAcute Tox. 4 (100%)