Home > Compound List > Compound details
68737-65-5 molecular structure
click picture or here to close

(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine

ChemBase ID: 70429
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
[C@@H]1([C@@H](CCCC1)NC)NC
Canonical SMILES:
CN[C@@H]1CCCC[C@H]1NC
InChI:
InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey:
JRHPOFJADXHYBR-HTQZYQBOSA-N

Cite this record

CBID:70429 http://www.chembase.cn/molecule-70429.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
IUPAC Traditional name
(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
Synonyms
(1R,2R)-N1,N2-Dimethylcyclohexane-1,2-diamine
(R,R)-(-)-N,N′-Dimethyl-1,2-diaminocyclohexane
trans-1,2-Bis(methylamino)cyclohexane
(R,R)-(-)-N,N′-Dimethyl-1,2-cyclohexanediamine
trans-N,N′-Dimethylcyclohexane-1,2-diamine
(1R,2R)-N,N'-Dimethyl-1,2-cyclohexanediamine
trans-N1,N2-Dimethylcyclohexane-1,2-diamine
(R,R)-(-)-N,N′-二甲基-1,2-二氨基环己烷
反式-1,2-双(甲氨基)环己烷
(R,R)-(-)-N,N′-二甲基-1,2-环己二胺
反-N,N′-二甲基环己烷-1,2-二胺
CAS Number
68737-65-5
67579-81-1
MDL Number
MFCD00671527
MFCD03001702
PubChem SID
162036148
24885095
24882536
PubChem CID
2733821

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.1429214  LogD (pH = 7.4) -2.0264766 
Log P 0.85718703  Molar Refractivity 43.5012 cm3
Polarizability 17.811394 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
39-44 °C expand Show data source
Boiling Point
78-80 °C/18 mmHg(lit.) expand Show data source
Flash Point
165.2 °F expand Show data source
74 °C expand Show data source
Density
0.902 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.472(lit.) expand Show data source
Optical Rotation
[α]/D -145±5°, c = 4.47 in chloroform expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2735 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2735 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C8H18N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 633089 external link
Packaging
5, 25 mL in glass bottle
Sigma Aldrich - 671274 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle