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1,8-Diamino-P-Menthane
CAS: 80-52-4 | C10H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-52-4
Molecular Formula:
C10H22N2
Molecular Mass:
170.30 g/mol
Names and Synonyms:
1,8-Diamino-P-Menthane
Cyclohexanemethanamine, 4-amino-α,α,4-trimethyl-
p-Menthane-1,8-diamine
4-Amino-α,α,4-trimethylcyclohexanemethanamine
1,8-Diamino-p-menthane
1-Amino-1-methyl-4-(2-amino-2-propyl)cyclohexane
1-Methyl-4-(1-amino-1-methylethyl)cyclohexylamine
Menthanediamine
1,8-Menthanediamine
1,8-p-Menthanediamine
Primene MD
NSC 5612
Identifiers:
SMILES:
CC1(N)CCC(C(C)(C)N)CC1
InChI:
InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3
Key Properties
Boiling Point
115-120 °C @ Press: 10 Torr
CAS Common Chemistry
Density
0.91 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.30 g/mol | CAS Common Chemistry |
| 170.29999999999995 g/mol | RDKit | |
| 170.17829870399999 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.91 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 115-120 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | NC(C)(C)C1CCC(N)(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KOGSPLLRMRSADR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,8-Diamino-p-menthane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 1.6313 | RDKit |
| Molar Refractivity | 52.81680000000003 | RDKit |
