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Basic Information
CAS No.: 28075-29-8
Name: N-Methyl-3,3-diphenylpropylamine
Molecular Structure:
Molecular Structure of 28075-29-8 (N-Methyl-3,3-diphenylpropylamine)
Formula: C16H19N
Molecular Weight: 225.334
Synonyms: Propylamine,N-methyl-3,3-diphenyl- (8CI);(3,3-Diphenylpropyl)methylamine;N-Methyl-3,3-diphenylpropylamine;
EINECS: 248-821-5
Density: 0.989 g/cm3
Boiling Point: 347.374 °C at 760 mmHg
Flash Point: 164.5 °C
Appearance: the white crystals
PSA: 12.03000
LogP: 3.81890
Synthetic route
42142-52-9

3-methylamino-1-phenylpropan-1-ol

71-43-2

benzene

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
With trifluorormethanesulfonic acid83%
348607-76-1

3,3-diphenylpropanoic acid N-methylamide

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether for 4h;66%

N-benzyl-N-methyl-3,3-diphenylpropylamine

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
With hydrogenchloride; aq. NaOH In methanol
103-67-3

benzyl-methyl-amine

28075-29-8

N-methyl-3,3-diphenylpropylamine

621-82-9

Cinnamic acid

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / Heating
2: 1,4-dioxane / 0.17 h / 20 °C
3: trifluorormethanesulfonic acid / 2 h / 20 °C
4: lithium aluminium tetrahydride / diethyl ether / 4 h
View Scheme
102-92-1

cinnamoyl chloride

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1,4-dioxane / 0.17 h / 20 °C
2: trifluorormethanesulfonic acid / 2 h / 20 °C
3: lithium aluminium tetrahydride / diethyl ether / 4 h
View Scheme
13565-07-6, 15851-89-5

4-methylcinnamoyl chloride

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1,4-dioxane / 0.17 h / 20 °C
2: trifluorormethanesulfonic acid / 1 h / 20 °C
3: lithium aluminium tetrahydride / diethyl ether / 4 h
View Scheme

C11H11ClO

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1,4-dioxane / 0.17 h / 20 °C
2: trifluorormethanesulfonic acid / 1 h / 20 °C
3: lithium aluminium tetrahydride / diethyl ether / 4 h
View Scheme
1866-39-3

4-methylcinnamic acid

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / Heating
2: 1,4-dioxane / 0.17 h / 20 °C
3: trifluorormethanesulfonic acid / 1 h / 20 °C
4: lithium aluminium tetrahydride / diethyl ether / 4 h
View Scheme
147219-20-3, 60521-25-7

3-(3,4-Dimethylphenyl)-propensaeure

28075-29-8

N-methyl-3,3-diphenylpropylamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: thionyl chloride / Heating
2: 1,4-dioxane / 0.17 h / 20 °C
3: trifluorormethanesulfonic acid / 1 h / 20 °C
4: lithium aluminium tetrahydride / diethyl ether / 4 h
View Scheme
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Specification

The Benzenepropanamine,N-methyl-gamma-phenyl-, with the CAS registry number 28075-29-8, is also known as N-Methyl-3,3-diphenyl-1-propanamine. Its EINECS number is 248-821-5. This chemical's molecular formula is C16H19N and formula weight is 225.33. What's more, its IUPAC name is called N-methyl-3,3-diphenylpropan-1-amine. This chemical is white crystals.

Physical properties of Benzenepropanamine,N-methyl-gamma-phenyl-: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 73.06 cm3; (15)Molar Volume: 227.9 cm3; (16)Surface Tension:37.5 dyne/cm; (17)Density: 0.988 g/cm3; (18)Flash Point: 164.5 °C; (19)Enthalpy of Vaporization: 59.16 kJ/mol; (20)Boiling Point: 347.4 °C at 760 mmHg; (21)Vapour Pressure: 5.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c1ccccc1C(c2ccccc2)CCNC
(2)InChI:InChI=1/C16H19N/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
(3)InChIKey:AKEGHAUFMKCWGX-UHFFFAOYAA