-
Name
N1,N12-DIETHYLSPERMINE TETRAHYDROCHLORIDE
- EINECS
- CAS No. 113812-15-0
- Density
- Solubility
- Melting Point
- Formula C14H34N4.4ClH
- Boiling Point 368.4 °C at 760 mmHg
- Molecular Weight 404.295
- Flash Point 178.4 °C
- Transport Information
- Appearance white crystalline solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,4-Butanediamine,N,N'-bis[3-(ethylamino)propyl]-, tetrahydrochloride (9CI);
- PSA 48.12000
- LogP 5.71660
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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