N-(Phenylmethyl)bicyclo(2.2.1)heptan-2-amine
Basic information
- CAS
35718-03-7- Standard SMILES
c1ccc(CNC2CC3CCC2C3)cc1- InChIKey
DOMDOUHZPYAOCT-UHFFFAOYSA-N- Molecular formula
- C14H19N
- Average molar mass
- 201.31 g/mol
- Monoisotopic mass
- 201.15174961
Names & identifiers
- Preferred name
- N-(Phenylmethyl)bicyclo(2.2.1)heptan-2-amine
- IUPAC
- N-benzylbicyclo[2.2.1]heptan-2-amine
- English name
- N-Benzyl-2-norbornanamine
- Molecular formula
- C14H19N
- Molecular weight
- 201.31
Names & synonyms
35718-03-7RefChem:1091452N-(Phenylmethyl)bicyclo(2.2.1)heptan-2-amine2-(Benzylamino)norbornaneNorbornane, 2-(benzylamino)-N-BENZYLBICYCLO[2.2.1]HEPTAN-2-AMINEBicyclo[2.2.1]heptan-2-amine, N-(phenylmethyl)-MLS002694763Bicyclo(2.2.1)heptan-2-amine, N-(phenylmethyl)-N-Benzylnorborn-2-ylamine2-Norbornanamine, n-benzyl-EINECS 252-689-4
Show more names
N-BENZYL-2-NORBORNANAMINEN-(Phenylmethyl)bicyclo[2.2.1]heptan-6-amineBicyclo(2.2.1)heptan-2-amine, N-(phenylmethyl)- (9ci)
NSC 87598BRN 2091247NSC87598WLN: L55 ATJ FM1RSCHEMBL9628438CHEMBL1872208DTXSID00957126DOMDOUHZPYAOCT-UHFFFAOYSA-N
Database identifiers
- CAS
35718-03-7- PubChem CID
- 98186
- DTXSID
DTXSID00957126- ChEMBL
CHEMBL1872208- EC Number
- 252-689-4
- Nikkaji
- J42.491I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 307.396 · 307.396±11.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.04 · 1.040±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.194 · 10.194±0.20(predicted)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 2.2 · Bicyclo[2.2.1]heptan-2-amine, N-(phenylmethyl)-(35718-03-7)
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