1,4-시클로헥산비스(메틸아민)

1,4-Cyclohexanedimethanamine

HCID 17354CAS 10029-07-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC1CCC(CN)CC1
InChIKey: OXIKYYJDTWKERT-UHFFFAOYSA-N
분자식: C8H18N2
평균 분자량: 142.24 g/mol
단동위원소 질량: 142.14699858

이름 및 식별자

우선 이름: 1,4-Cyclohexanedimethanamine
IUPAC: [4-(aminomethyl)cyclohexyl]methanamine
현지명: [4-(아미노메틸)시클로헥실]메탄아민
영어명: [4-(aminomethyl)cyclohexyl]methanamine
분자식: C8H18N2
분자량: 142.24

이름 및 동의어

2549-93-1cis-1,4-Bis(aminomethyl)cyclohexanetrans-1,4-Bis(aminomethyl)cyclohexane1,4-Bis(aminomethyl)cyclohexane1,4-CyclohexanedimethanamineBamchCyclohex-1,4-ylenebis(methylamine)EINECS 219-840-6AI3-26964CYCLOHEXANE, 1,4-BIS(AMINOMETHYL)-DTXSID4062511RefChem:416612

이름 더 보기

[4-(아미노메틸)시클로헥실]메탄아민trans-Hexahydro-p-xylylenediaminetrans-1,4-Cyclohexanedimethanamine1,4-Cyclohexanedimethanamine, trans-trans-1,4-Di(aminomethyl)cyclohexane[4-(aminomethyl)cyclohexyl]methanaminetrans-cyclohexane-1,4-diyl)dimethanamine((1R,4r)-cyclohexane-1,4-diyl)dimethanamine[(1r,4r)-4-(aminomethyl)cyclohexyl]methanamine

DTXCID5037311219-840-6805-776-1805-777-710029-07-910029-09-1Cyclohexane-1,4-diyldimethanamine1,4-Cyclohexanebis(methylamine)

데이터베이스 식별자

CAS: 10029-07-9、10029-09-1、2549-93-1
PubChem CID: 17354
DTXSID: DTXSID4062511
EC Number: 219-840-6、805-776-1、805-777-7
Nikkaji: J48.535G、J543.232D、J543.233B

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 73.3

물리화학적 성질

끓는 점: 118 °C/10mmHg · 118°C/10mmHg(lit.)
밀도: 0.912 · 0.912±0.06 g/cm3(Predicted)
굴절률: 1.487 · 1.4870-1.4910
물리적 상태: 투명한 액체
산도 계수 (pKa): 10.57 · 10.57±0.29(Predicted)
색상: 무색 내지 거의 무색
InChI: InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2/t7-,8-
InChIKey: OXIKYYJDTWKERT-ZKCHVHJHSA-N
SMILES: [C@@H]1(CN)CC[C@@H](CN)CC1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (36.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 179 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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