Molecular Structure of Amines, C12-14-tert-alkyl (CAS NO. 68955-53-3):
EINECS: 273-279-1
IUPAC Name: 8,8-Dimethylnonan-1-amine
Molecular Formula: C11H25N
Molecular Weight: 171.322900 g/mol
XLogP3: 4.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC(C)(C)CCCCCCCN
InChI: InChI=1S/C11H25N/c1-11(2,3)9-7-5-4-6-8-10-12/h4-10,12H2,1-3H3
InChIKey: AAIUWVOMXTVLRG-UHFFFAOYSA-N
Index of Refraction: 1.441
Molar Refractivity: 56.51 cm3
Molar Volume: 213.8 cm3
Surface Tension: 28.4 dyne/cm
Density: 0.801 g/cm3
Flash Point: 85 °C
Enthalpy of Vaporization: 46.12 kJ/mol
Boiling Point: 224.7 °C at 760 mmHg
Vapour Pressure: 0.09 mmHg at 25 °C
Water Solubility: 172.5mg/L at 25 °C
1. | skn-rbt 500 mg SEV | RHPC** Rohm and Haas Company Petroleum Chemicals. (Philadelphia, PA 19105) PC-81-MAY1982 . | ||
2. | orl-rat LD50:300 mg/kg | RHPC** Rohm and Haas Company Petroleum Chemicals. (Philadelphia, PA 19105) PC-81-MAY1982 . | ||
3. | ihl-rat LCLo:3630 mg/m3/1M | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534588 . | ||
4. | skn-rbt LD50:1120 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0534588-1 . |
Safety Information of Amines, C12-14-tert-alkyl (CAS NO. 68955-53-3):
RIDADR: 2922
HazardClass: 8
PackingGroup: III
A poison by ingestion. Moderately toxic by skin contact. Low toxicity by inhalation. A severe skin irritant. When heated to decomposition it emits toxic vapors of NOx.
Amines, C12-14-tert-alkyl with cas registry number of 68955-53-3 is also known as t-Alkyl (C12-C14) primary amines ; Primene 81-R .
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