1-Piperazinecarboximidamide,4-(phenylmethyl)- supplier

Name
4-BENZYLPIPERAZINE-1-CARBOXAMIDINE HEMISULFATE
EINECS
CAS No. 7773-69-5
Article Data2
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point 238-240 °C
Formula C₁₂H₁₈N₄
Boiling Point 332.8 °C at 760 mmHg
Molecular Weight 254.763
Flash Point 155.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Piperazinecarboxamidine, 4-benzyl-;4-Benzylpiperazine-1-carboximidamide;4-Benzylpiperazinecarboxamidine;4-Benzyl-1-piperazinecarboxamidine;
PSA 195.68000
LogP 3.17500

1-Piperazinecarboximidamide,4-(phenylmethyl)- Specification

The 1-Piperazinecarboximidamide,4-(phenylmethyl)-, with the CAS registry number 7773-69-5, is also known as 1-Piperazinecarboxamidine, 4-benzyl-. The molecular formula of this chemical is C₁₂H₁₈N₄ and molecular weight is 218.30. What's more, its systematic name is 4-Benzylpiperazine-1-carboximidamide. Its classification codes is Drug/Therapeutic Agent.

Physical properties of 1-Piperazinecarboximidamide,4-(phenylmethyl)- are: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -2.32; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.08 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 64.49 cm³; (15)Molar Volume: 183.9 cm³; (16)Polarizability: 25.56×10^-24 cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 332.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000142 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=N)N
(2)InChI: InChI=1S/C12H18N4/c13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,13,14)
(3)InChIKey: GQXJKWWOHZLFEG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	150mg/kg (150mg/kg)	BEHAVIORAL: ANALGESIA	Eksperimentalna Meditsina i Morfologiya. Vol. 24(4), Pg. 35, 1985.

Product Name

4-BENZYLPIPERAZINE-1-CARBOXAMIDINE HEMISULFATE

1-Piperazinecarboximidamide,4-(phenylmethyl)- Specification

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