(1R,2R)-N,N'-디메틸-1,2-시클로헥산디아민

trans-N,N'-dimethyl-1,2-cyclohexanediamine

HCID 2733821CAS 67579-81-1

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: trans-N,N'-dimethyl-1,2-cyclohexanediamine
IUPAC: trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
현지명: TRANS-1,2-BIS(메틸아미노)사이클로헥산
영어명: Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine
분자식: C8H18N2
분자량: 142.24

이름 및 동의어

67579-81-1trans-N,N'-Dimethyl-1,2-cyclohexanediamineRefChem:39320968737-65-5(1r,2r)-n,n'-dimethyl-1,2-cyclohexanediamine(1r,2r)-n1,n2-dimethylcyclohexane-1,2-diaminetrans-N1,N2-Dimethylcyclohexane-1,2-diaminetrans-N,N'-Dimethylcyclohexane-1,2-diamine(1R,2R)-(-)-N,N'-Dimethylcyclohexane-1,2-diaminetrans-(1R,2R)-N,N'-Bismethyl-1,2-cyclohexanediaminetrans-1,2-Bis(methylamino)cyclohexaneMFCD00671527

이름 더 보기

TRANS-1,2-BIS(메틸아미노)사이클로헥산t-DMACHtrans-N,NN,N-Dimethylcyclohexanediaminetrans-N,N'-DimethyLTRANS-N,N'-DIMETHYLCYCLOHEXANE

(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diaminetrans-(1R,2R)-N,N'-Bismethyl-1,2-cyclohexane diamine(R,R)-(-)-N,N'-Dimethyl-1,2-cyclohexanediamineTrans-N,N'-bismethyl-1,2-cyclohexanediamine(1R,2R)-(-)-1,2-Bis(methylamino)cyclohexane(1R,2R)-N,N'-dimethylcyclohexane-1,2-diamineN,N'-dimethyl-trans-1,2-cyclohexanediamine(1r,2r)-diaminomethylcyclohexane

데이터베이스 식별자

CAS: 67579-81-1、68737-65-5
PubChem CID: 2733821
DTXSID: DTXSID20986938
UNII: C6PF3WC3SS
EC Number: 614-082-6、626-704-3
Nikkaji: J596.263C

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: 4 °C · 4°C
끓는 점: 83 °C · 83 °C / 13mmHg
밀도: 0.89 · 0.89
굴절률: 20 · n20/D1.472(lit.)
인화점: 60 ℃ · 60℃
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 액체
산도 계수 (pKa): 11.04 · 11.04±0.40(Predicted)
색상: 무색~담황색
InChI: InChI=1/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/s3
InChIKey: JRHPOFJADXHYBR-HTQZYQBOSA-N
SMILES: [C@@H]1(NC)CCCC[C@H]1NC |&1:0,7,r|

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory InformationStatus: Active Update: 09-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23000

Hazard Classes and Categories · 2건

Acute Tox. 4 (70.3%)

Acute Tox. 4 (93.8%)

안전 데이터

wgk: 3
ridadr: 2735
HS 번호: 2921309990
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 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

개요Trans-(1R,2R)N,N'-Dimethyl-cyclohexane-1,2-diamine is a useful research chemical for organic synthesis and other chemical processes.

용도trans-N,N′-dimethylcyclohexane-1,2-diamine can be used as a ligand in the synthesis of the following products via copper catalyzed C-N coupling reactions:vinylsulfoximines obtained from NH sulfoximes and vinyl bromidesN-arylpyridones obtained via reaction between 2-substituted pyridines and aryl halidesN-aryl amines obtained via reaction between amines and aryl iodides/aryl bromides