N,N-dimethyl-1-adamantanamine
Basic information
- CAS
3717-40-6- Standard SMILES
CN(C)C12CC3CC(CC(C3)C1)C2- InChIKey
NFBYCNFAXLUGBT-UHFFFAOYSA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Names & identifiers
- Preferred name
- N,N-dimethyl-1-adamantanamine
- IUPAC
- N,N-dimethyladamantan-1-amine
- English name
- N,N-Dimethyl-1-adamantylamine
- Molecular formula
- C12H21N
- Molecular weight
- 179.3
Names & synonyms
3717-40-6N,N-Dimethyl-1-adamantanamine1-Adamantyldimethylamine(Dimethylamino)adamantaneN,N-Dimethyl-1-adamantylamine1-ADAMANTANAMINE, N,N-DIMETHYL-N,N-Dimethyladamantylamine1-(Dimethylamino)adamantaneBRN 2075898Tricyclo(3.3.1.1(sup 3,7))decan-1-amine, N,N-dimethyl-N,N-Dimethyltricyclo(3.3.1.1(sup 3,7))decan-1-amine1-(N,N-Dimethylamino)adamantane
Show more names
Mrz-2/187N,N-DiMethyl AdaMantylaMineN,N-Dimethyladamantane-1-amineTricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl-
DTXSID00893535EC 609-335-2RefChem:161226DTXCID601323558Tricyclo(3.3.1.1(sup 3,7))decan-1-amine, N,N-dimethyl-(9CI)609-335-2NFBYCNFAXLUGBT-UHFFFAOYSA-NN,N-dimethyladamantan-1-amine
Database identifiers
- CAS
3717-40-6- PubChem CID
- 19478
- DTXSID
DTXSID00893535- ChEMBL
CHEMBL131460- EC Number
- 609-335-2
- Nikkaji
- J73.377F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- InChI
- InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
- InChIKey
- NFBYCNFAXLUGBT-UHFFFAOYSA-N
- SMILES
- C12(N(C)C)CC3CC(CC(C3)C1)C2
- EPA Substance Registry System
- 3.3 · Tricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl- (3717-40-6)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H361-H314-H412-H402
- Precautionary statements
- 273 · P273-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Tricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N,N-dimethyl-1-adamantanamine (EC: 609-335-2)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS05
- Hazard statements
- H302-H361-H314-H412-H402
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Tricyclo[3.3.1.13,7]decan-1-amine, N,N-dimethyl-: ACTIVE
Applications
UsesN,N-Dimethyladamantaneamine is an amine derivative that can be used as an intermediate in organic synthesis.
Suppliers
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Related reactions
4 records
Compound notes
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