Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)

HCID 199446

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4189-78-0
Standard SMILES: Cc1ccc(C(O)(c2ccccc2)C(C)CN(C)C)cc1.O=C(O)C(=O)O
InChIKey: UQPHDCVFCJSWPC-UHFFFAOYSA-N
Molecular formula: C21H27NO5
Average molar mass: 373.4 g/mol
Monoisotopic mass: 373.18892296

Names & identifiers

Preferred name: Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)
IUPAC: 3-(dimethylamino)-2-methyl-1-(4-methylphenyl)-1-phenylpropan-1-ol;oxalic acid

Names & synonyms

4189-78-0Benzhydrol, alpha-(2-(dimethylamino)-1-methylethyl)-4-methyl-, oxalate (1:1)RefChem:10787511-Propanol, 3-dimethylamino-2-methyl-1-phenyl-1-p-tolyl-, oxalatealpha-(2-(Dimethylamino)-1-methylethyl)-4-methyl-benzhydrol oxalateDTXSID40962037Oxalic acid--3-(dimethylamino)-2-methyl-1-(4-methylphenyl)-1-phenylpropan-1-ol (1/1)

Database identifiers

CAS: 4189-78-0
PubChem CID: 199446
DTXSID: DTXSID40962037

Properties

Computed structural properties

Topological polar surface area: 98.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 374

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…