(1S,2S)-N,N'-디메틸-1,2-시클로헥산디아민

(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine

HCID 13822957

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 87583-89-9
표준 SMILES: CN[C@H]1CCCC[C@@H]1NC
InChIKey: JRHPOFJADXHYBR-YUMQZZPRSA-N
분자식: C8H18N2
평균 분자량: 142.24 g/mol
단동위원소 질량: 142.14699858

이름 및 식별자

우선 이름: (1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine
IUPAC: trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
현지명: (1S,2S)-N,N'-디메틸-1,2-시클로헥산디아민
영어명: (1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine
분자식: C8H18N2
분자량: 142.24

이름 및 동의어

(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamineRefChem:393976625-342-387583-89-9(1s,2s)-n1,n2-dimethylcyclohexane-1,2-diaminetrans-(1S,2S)-N,N'-Dimethylcyclohexane-1,2-diamine(1S,2S)-N,N'-Dimethyl-1,2-cyclohexanediamine(1S,2S)-N,N'-dimethylcyclohexane-1,2-diamineMFCD00671528(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine(1s,2s)-n,n'-bismethyl-1,2-cyclohexane-diamine(1S,2S)- N,N'-Dimethyl-1,2-cyclohexanediamine

이름 더 보기

(1S,2S)-N,N'-디메틸-1,2-시클로헥산디아민(1S,2S)-N,N'-Dimethyl-1,2-diaminocyclohexane(1S,2S)-N1,N2-Dimethyl-1,2-cyclohexanediamineDimethylcyclohexanediamine2S)-N(S,S)-(+)-N,NN\'-BisMethyl-1ohexane-1,2-diamine(1S,2S)-(+)-N,N'2-cyclohexane-diaMine(1S,2S)-(+)-N,N'-DimethyL

AKOS006237679(1s,2s)-n,n'-dimethyl-cyclohexane-1,2-diamine(S,S)-(+)-N,N'-Dimethyl-1,2-cyclohexanediamine, >=97.0% (GC)(S,S)-(+)-N,N inverted exclamation marka-Dimethyl-1,2-cyclohexanediamine(s,s)-(+)-n,n'-dimethyl-1,2-cyclohexanediamine(1S,2S)-(+)-1,2-Bis(methylamino)cyclohexaneN,N'-Dimethyl-(1S,2S)-1,2-Cyclohexanediamine1,2-Cyclohexanediamine, N,N'-dimethyl-, (1S,2S)-

데이터베이스 식별자

CAS: 87583-89-9
PubChem CID: 13822957
DTXSID: DTXSID40550514
EC Number: 625-342-3
Nikkaji: J804.672G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 81.3

물리화학적 성질

녹는점: 39 · 39-44 °C
끓는 점: 186.8 · 186.8±8.0 °C(Predicted)
밀도: 0.902 · 0.902
굴절률: 145 ° · 145 ° (C=4, CHCl3)
인화점: 74 °C · 74 °C
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 11.04 · 11.04±0.40(Predicted)
색상: 옅은 갈색
수용성: 물에 약간 용해됩니다.
BRN: 4304824 · 4304824
InChI: InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKey: JRHPOFJADXHYBR-YUMQZZPRSA-N
SMILES: [C@H]1(NC)CCCC[C@@H]1NC

화학적 성질

Beige crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

안전 데이터

wgk: 3
ridadr: UN 3259
HS 번호: 29213000
risk_code: 36/37/38-34-22
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: Ⅱ
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도It is employed in the synthesis of 6-substituted 1-oxoindanoyl isoleucine conjugates and modeling studies with the coi1-jaz co-receptor complex of lima bean.