Product Name

  • Name

    thonzylamine

  • EINECS
  • CAS No. 91-85-0
  • Article Data7
  • CAS DataBase
  • Density 1.121g/cm3
  • Solubility 5.441g/L(37.5 oC)
  • Melting Point
  • Formula C16H22 N4 O
  • Boiling Point 440.6oC at 760 mmHg
  • Molecular Weight 286.377
  • Flash Point 220.3oC
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 91-85-0 (thonzylamine)
  • Hazard Symbols
  • Synonyms 1,2-Ethanediamine,N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl- (9CI); Pyrimidine,2-[[2-(dimethylamino)ethyl](p-methoxybenzyl)amino]- (7CI,8CI);2-[p-Methoxybenzyl-(2-dimethylaminoethyl)amino]pyrimidine; Neohetramine;Thonzylamine
  • PSA 41.49000
  • LogP 2.05340

Neohetramine Chemical Properties

Molecule structure of Neohetramine (CAS NO.91-85-0):

IUPAC Name: N-[(4-Methoxyphenyl)methyl]-N',N'-dimethyl-N-pyrimidin-2-ylethane-1,2-diamine 
Molecular Weight: 286.37208 g/mol
Molecular Formula: C16H22N4
Density: 1.121 g/cm3
Boiling Point: 440.6 °C at 760 mmHg 
Flash Point: 220.3 °C
Index of Refraction: 1.584
Molar Refractivity: 85.53 cm3
Molar Volume: 255.3 cm3
Polarizability: 33.9×10-24 cm3
Surface Tension: 47.8 dyne/cm 
Enthalpy of Vaporization: 69.78 kJ/mol
Vapour Pressure: 5.8E-08 mmHg at 25 °C
XLogP3: 2.6 
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Exact Mass: 286.179361
MonoIsotopic Mass: 286.179361
Topological Polar Surface Area: 41.5
Heavy Atom Count: 21
Complexity: 274
Canonical SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2
InChI: InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3
InChIKey: GULNIHOSWFYMRN-UHFFFAOYSA-N
EINECS: 202-103-8

Neohetramine Uses

 Neohetramine (CAS NO.91-85-0) is used as an antihistaminic (in the form of the hydrochloride).

Neohetramine Toxicity Data With Reference

1.    

orl-wmn TDLo:2 mg/kg

    JOALAS    Journal of Allergy, Including Allergy Abstracts. 19 (1948),313.
2.    

orl-mus LD50:245 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 66 (1947),512.
3.    

ipr-mus LD50:119 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 66 (1947),512.
4.    

orl-gpg LD50:493 mg/kg

    PSEBAA    Proceedings of the Society for Experimental Biology and Medicine. 66 (1947),512.

Neohetramine Safety Profile

Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Neohetramine Specification

 Neohetramine (CAS NO.91-85-0) is also named as 2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino)pyrimidine ; 4-25-00-02087 (Beilstein Handbook Reference) ; BRN 0284655 ; Ethylenediamine, N-(p-methoxybenzyl)-N',N'-dimethyl-N-2-
pyrimidinyl- ; N,N-Dimethyl-N'-(p-methoxybenzyl)-N'-(2-pyrimidyl)ethylenediamine ; NCI-C60708 ; Thonzylamine ; Thonzylaminum ; Thonzylaminum [INN-Latin] ; Toncilaminio ; Toncilaminio [INN-Spanish] ; Tonzilamina ; Tonzilamina [DCIT] ; Tonzilamine ; UNII-R79646H5Z8 . Neohetramine (CAS NO.91-85-0) is an oily liquid.  Neohetramine neutralizes acids in exothermic reactions to form salts plus water. It may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. Neohetramine is toxic and hazardous decomposition products.

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View