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1,4-Butanediamine,N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4)

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Name

1,4-Butanediamine,N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4)

EINECS N/A
CAS No. 113812-15-0 Density N/A
PSA 48.12000 LogP 5.71660
Solubility N/A Melting Point N/A
Formula C14H34N4.4ClH Boiling Point 368.4 °C at 760 mmHg
Molecular Weight 404.295 Flash Point 178.4 °C
Transport Information N/A Appearance white crystalline solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 113812-15-0 (N1,N12-DIETHYLSPERMINE TETRAHYDROCHLORIDE) Hazard Symbols N/A
Synonyms

1,4-Butanediamine,N,N'-bis[3-(ethylamino)propyl]-, tetrahydrochloride (9CI);

 

1,4-Butanediamine,N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4) Specification

The 1,4-Butanediamine,N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4), with its CAS registry number 113812-15-0, has the systematic name of N,N'-bis[3-(ethylammonio)propyl]butane-1,4-diaminium tetrachloride. And it has the molecular formula of C14H34N4.4ClH and the molecular weight of 404.29. Besides, this chemical belongs to the product categories which include Miscellaneous Enzyme.

The characteristics of 1,4-Butanediamine,N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4) are as follows: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 0 Å2; (7)Flash Point: 178.4 °C; (8)Enthalpy of Vaporization: 61.5 kJ/mol; (9)Boiling Point: 368.4 °C at 760 mmHg; (10)Vapour Pressure: 1.28E-05 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:[Cl-].[Cl-].[Cl-].[Cl-].C(C[NH2+]CCC[NH2+]CC)CC[NH2+]CCC[NH2+]CC
(2)InChI:InChI=1/C14H34N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-14H2,1-2H3;4*1H (3)InChIKey:SCYOBNRPMHJGLB-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C14H34N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-14H2,1-2H3;4*1H
(5)Std. InChIKey:SCYOBNRPMHJGLB-UHFFFAOYSA-N

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