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Ethanamine, N-ethyl-, molybdenum(4+) salt structure
Ethanamine, N-ethyl-, molybdenum(4+) salt structure

Ethanamine, N-ethyl-, molybdenum(4+) salt

Iupac Name:(Z)-but-2-enedioic acid
CAS No.:68307-91-5
Molecular Weight:116.07216
1. Names and Identifiers
1.1 Name
Ethanamine, N-ethyl-, molybdenum(4+) salt
1.2 CAS No.
68307-91-5
1.3 CID
444266
1.4 Molecular Formula
C19H25NO4 (isomer)
1.5 Inchi
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
1.6 InChkey
VZCYOOQTPOCHFL-UPHRSURJSA-N
1.7 Canonical Smiles
C(=CC(=O)O)C(=O)O
1.8 Isomers Smiles
C(=C\C(=O)O)\C(=O)O
2. Properties
2.1 Melting Point
138-139 DEG C CRYSTALS FROM WATER; 130-131 DEG C CRYSTALS FROM ALC & BENZENE
2.2 Vapour
Negligible (NTP, 1992)
2.3 Refractive Index
1.526
3. Safety and Handling
3.1 Risk Statements
R22;R36/37/38
3.2 Safety Statements
S24/25;S28;S36/37/39
3.3 PackingGroup
III
3.4 Transport
UN 2215
4. Computational chemical data
  • Molecular Weight:116.07216g/mol
  • Molecular Formula:C19H25NO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.3
  • Exact Mass:116.011
  • Monoisotopic Mass:116.011
  • Complexity:119
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAgCI ACDSCAAAAAAAAAAICAAAAEAABAAAAAAAEAAAAAAAEYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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2-Butenedioic acid(2Z)-, monocastor oil alkyl esters
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2016/03/29
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2-Butenedioic acid(2Z)-, monocastor oil alkyl esters
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2010/12/18
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