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39139-52-1

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Basic Information
CAS No.: 39139-52-1
Name: 1-Piperazinamine,4-(phenylmethyl)-(9CI)
Article Data: 4
Molecular Structure:
Molecular Structure of 39139-52-1 (1-Piperazinamine,4-(phenylmethyl)-(9CI))
Formula: C11H17N3
Molecular Weight: 191.276
Synonyms: Piperazine,1-amino-4-benzyl- (6CI,7CI);4-(Phenylmethyl)-1-piperazinamine;4-Benzyl-1-aminopiperazine;4-Benzyl-1-piperazinamine;4-Benzylpiperazin-1-amine;1-Amino-4-benzylpiperazine;
Density: 1.096 g/cm3
Boiling Point: 300.411 °C at 760 mmHg
Flash Point: 133.709 °C
Appearance: White crystalline solid
PSA: 32.50000
LogP: 1.25400
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Specification

The 1-Piperazinamine,4-(phenylmethyl)- is an organic compound with the formula C11H17N3. The systematic name of this chemical is 4-Benzylpiperazin-1-amine. With the CAS registry number 39139-52-1, it is also named as 1-Amino-4-benzylpiperazine. The categories of the product are Piperidine and Miscellaneous Reagents. Besides, its molecular weight is 191.28. It is white crystalline solid.

The physical properties of 1-Piperazinamine,4-(phenylmethyl)- are: (1)ACD/LogP: 0.47; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 18; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 32.5 Å2; (10)Index of Refraction: 1.583; (11)Molar Refractivity: 58.299 cm3; (12)Molar Volume: 174.452 cm3; (13)Polarizability: 23.112×10-24 cm3; (14)Surface Tension: 47.038 dyne/cm; (15)Density: 1.096 g/cm3; (16)Flash Point: 133.709 °C; (17)Enthalpy of Vaporization: 54.048 kJ/mol; (18)Boiling Point: 300.411 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: NN2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C11H17N3/c12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10,12H2
(3)InChIKey: SJMJMGVFFRSXOG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H17N3/c12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10,12H2
(5)Std. InChIKey: SJMJMGVFFRSXOG-UHFFFAOYSA-N