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124935-89-3

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CAS No.: 124935-89-3
Name: 2-Methoxy-5-methyl-N,N-bis(1-methylethyl)-3-phenylbenzenepropanamine fumarate
Molecular Structure:
Molecular Structure of 124935-89-3 (2-Methoxy-5-methyl-N,N-bis(1-methylethyl)-3-phenylbenzenepropanamine fumarate)
Formula: C23H33NO.C4H4O4
Molecular Weight: 455.594
Synonyms: Propanamine Fumarate;2-methoxy-5-methyl-N,N-bis(1-methylethyl)-gamma-phenylbenzene propenamine fumarate;2-methoxy-5-methyl-N,N-bis(1-methylethyl)-gamma-phenylbenzene;
EINECS: 603-018-2
Density: 0.97g/cm3
Boiling Point: 586 °C at 760 mmHg
Flash Point: 308.2 °C
PSA: 87.07000
LogP: 5.43380
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Chemistry

Product Name: 2-Methoxy-5-methyl-N,N-bis(1-methylethyl)-3-phenylbenzenepropanamine fumarate (CAS NO.124935-89-3)


Molecular Formula: C27H37NO5
Molecular Weight: 455.59g/mol
Mol File: 124935-89-3.mol
Boiling point: 586 °C at 760 mmHg
Flash Point: 308.2 °C
Enthalpy of Vaporization: 92.06 kJ/mol
Vapour Pressure: 1.42E-14 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 6
Structure Descriptors of 2-Methoxy-5-methyl-N,N-bis(1-methylethyl)-3-phenylbenzenepropanamine fumarate (CAS NO.124935-89-3):
IUPAC Name: (E)-but-2-enedioic acid;3-(2-methoxy-5-methyl-3-phenylphenyl)-N,N-di(propan-2-yl)propan-1-amine 
Canonical SMILES: CC1=CC(=C(C(=C1)C2=CC=CC=C2)OC)CCCN(C(C)C)C(C)C.C(=CC(=O)O)C(=O)O
Isomeric SMILES: CC1=CC(=C(C(=C1)C2=CC=CC=C2)OC)CCCN(C(C)C)C(C)C.C(=C/C(=O)O)\C(=O)O
InChI: InChI=1S/C23H33NO.C4H4O4/c1-17(2)24(18(3)4)14-10-13-21-15-19(5)16-22(23(21)25-6)20-11-8-7-9-12-20;5-3(6)1-2-4(7)8/h7-9,11-12,15-18H,10,13-14H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+  
InChIKey: DAFIRPRRSLNPBO-WLHGVMLRSA-N
Product Categories: Amines; Tolterodine tartrate

Specification

 2-Methoxy-5-methyl-N,N-bis(1-methylethyl)-3-phenylbenzenepropanamine fumarate , its CAS NO. is 124935-89-3, the synonym is [1,1'-Biphenyl]-3-propanamine, 2-methoxy-5-methyl-N,N-bis(1-methylethyl)-, (2E)-2-butenedioate (1:1) .