Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
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Basic information
- CAS
17768-41-1- Standard SMILES
NCC12CC3CC(CC(C3)C1)C2- InChIKey
XSOHXMFFSKTSIT-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
- Monoisotopic mass
- 165.15174961
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
- IUPAC
- 1-adamantylmethanamine
- English name
- 1-Adamantanemethylamine
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
Tricyclo(3.3.1.13,7)dec-1-ylmethylamineEINECS 241-752-1NSC 285231DTXSID90170367Tricyclo[3.3.1.13,7]dec-1-ylmethylamineRefChem:899313DTXCID7092858241-752-11-Adamantanemethylamine17768-41-1adamantan-1-ylmethanamine1-Adamantylmethanamine
Show more names
1-ADMAMrz-2/16AKOS B014406AKOS BC-01961-ADAMANTYLMETHYLAMINE1-Adamantanemethanamine1-Adamentinemethylamine
1-(Aminomethyl)adamantane1-AminomethyladamantaneadamantylmethylamineMFCD000747501-(aminomethyl)-adamantane1-adamantan-1-ylmethanamineC-Adamantan-1-yl-methylamine1-adamantanmethyl amine
Database identifiers
- CAS
17768-41-1- PubChem CID
- 86625
- DTXSID
DTXSID90170367- ChEMBL
CHEMBL336585- EC Number
- 241-752-1
- Nikkaji
- J82.677D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 83 · 83-85 °C/0.3 mmHg (lit.)
- Density
- 0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5137(lit.)
- Flash point
- 198 °F · 198 °F
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Liquid
- pka
- 10.71 · 10.71±0.29(Predicted)
- color
- Colorless to pale yellow
- Sensitive
- Air Sensitive
- InChI
- 1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2/t8-,9+,10-,11-
- InChIKey
- XSOHXMFFSKTSIT-BIBSGERRSA-N
- SMILES
- NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
- CAS DataBase Reference
- 17768 · 17768-41-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-Adamantanemethylamine(17768-41-1)
- UNSPSC Code
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
H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.6%)
Safety data
- wgk
- 3
- ridadr
- UN 2735
- hs_code
- 29213000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- safety_code
- 24/25-45-36/37/39-27-26
- hazard_class
- IRRITANT
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemistry & industry
Applications
UsesAdamantan-1-ylmethanamine (1-Aminomethyladamantane) is a Hyt hydrophobic group. Adamantan-1-ylmethanamine can be used in the synthesis of ZX782 (HY-161972)[1].
General Description1-Adamantanemethylamine is a large amine present on the wall of 6,7-diaminoquinoxaline. The thermodynamic complex formation constant of 1-adamantanemethylamine was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
109 records
Compound notes
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