EINECS of Caldopentamine (CAS NO.13274-42-5): 236-272-4
Empirical Formula: C12H31N5
Molecular Weight: 245.408 g/mol
Index of Refraction: 1.491
Density: 0.942 g/cm3
Flash Point: 222.1 °C
Enthalpy of Vaporization: 63.67 kJ/mol
Boiling Point: 387.6 °C at 760 mmHg
Vapour Pressure: 3.26E-06 mmHg at 25 °C
Structure of Caldopentamine (CAS NO.13274-42-5):
IUPAC Name: N'-(3-Aminopropyl)-N-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
Canonical SMILES: C(CN)CNCCCNCCCNCCCN
InChI: InChI=1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2
InChIKey: BELZJFWUNQWBES-UHFFFAOYSA-N
1. | skn-rbt 10 µL/24H MOD | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534559 . | ||
2. | eye-rbt 5 µL SEV | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534559 . | ||
3. | orl-rat LD50:1070 µL/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534559 . | ||
4. | skn-rbt LD50:100 µL/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534559 . |
A poison by ingestion and skin contact. A moderate skin and severe eye irritant. When heated to decomposition Caldopentamine (CAS NO.13274-42-5) emits toxic vapors of NOx.
Caldopentamine , its cas register number is 13274-42-5. It also can be called 1,3-Propanediamine, N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)- ; N-(3-Aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)propane-1,3-diamine ; and Tetratrimethylenepentamine .
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