4-(2-Aminopropan-2-yl)-1-methylcyclohexan-1-amine
Basic information
- CAS
54166-24-4- Standard SMILES
CC1(N)CCC(C(C)(C)N)CC1- InChIKey
KOGSPLLRMRSADR-UHFFFAOYSA-N- Molecular formula
- C10H22N2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 170.17829871
Overview
Blackish liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- 4-(2-Aminopropan-2-yl)-1-methylcyclohexan-1-amine
- IUPAC
- 4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
- English name
- cis-1,8-Diamino-p-methane
- Molecular formula
- C10H22N2
- Molecular weight
- 170.3
Names & synonyms
4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amineKIER-C3RefChem:737331,8-Diamino-p-menthane80-52-4Menthanediamine4-(2-aminopropan-2-yl)-1-methylcyclohexanamineP-MENTHANE-1,8-DIAMINE1,8-Menthanediamine1,8-p-Menthanediamine54166-24-4Menthane diamine
Show more names
cis-1,8-Diamino-p-methanecis-1,8-diamino-P-menthanecis-1,8-Diamino-p-menthane 98%cis-1,8-Diamino-p-menthanecis-4-(2-Aminopropan-2-yl)-1-methylcyclohexanamineCyclohexanemethanamine, 4-amino-α,α,4-trimethyl-, cis-(1r,4r)-4-(2-aminopropan-2-yl)-1-methylcyclohexan-1-amine
USAF RH-4p-Menthane-1,8-diyldiamineCCRIS 4836NSC 5612EINECS 201-287-7UNII-S583DR301GBRN 1098767DTXSID3021772
Database identifiers
- CAS
54166-24-4、54166-25-5、80-52-4- PubChem CID
- 6650
- DTXSID
DTXSID3021772- ChEMBL
CHEMBL1533517- UNII
- S583DR301G
- EC Number
- 201-287-7、625-993-3
- Nikkaji
- J1.684.547G、J36.813J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Density0.914 at 68 °F (NTP, 1992) - Less dense than water; will float
SolubilitySlightly soluble (NTP, 1992)
Flash Point200 °F (NTP, 1992)
Boiling Point225 to 259 °F at 10 mmHg (NTP, 1992)
Melting Point-49 °F (NTP, 1992)
Physical Description
Blackish liquid. (NTP, 1992)
Liquid
Physicochemical properties
- Boiling point
- 233 °C · 233 °C (lit.)
- Density
- 0.918 g/mL · 0.918 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.48(lit.)
- Flash point
- 212 °F · 212 °F
- pka
- 11.017 · 11.017±0.70(predicted)
- InChI
- 1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3/t8-,10+
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (42.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory Information
Chemical: Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl-
Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
DOT LabelPoison
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the eyes, skin and mucous membranes.
Reactive GroupAmines, Phosphines, and Pyridines
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
Adhesive Manufacturing
Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl-: ACTIVE
Applications
Usescis-1,8-Diamino-p-menthane may be used in the synthesis of cis-(N,N′-p-menth-1,8-ylene)bis(2-bromo-3,3-dimethylbutanamide).
General Descriptioncis-1,8-Diamino-p-menthane may be used in the synthesis of cis-(N,N′-p-menth-1,8-ylene)bis(2-bromo-3,3-dimethylbutanamide).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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