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64552-25-6

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Basic Information
CAS No.: 64552-25-6
Name: N-METHYLJERVINE
Article Data: 2
Molecular Structure:
Molecular Structure of 64552-25-6 (N-METHYLJERVINE)
Formula: C28H41 N O3
Molecular Weight: 439.70
Synonyms: Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridine],veratraman-11-one deriv.; N-Methyljervine
Density: 1.17g/cm3
Boiling Point: 584.1°C at 760 mmHg
Flash Point: 307.1°C
Safety: Experimental teratogenic effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 49.77000
LogP: 4.46100
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Chemistry

Product Name: N-Methyljervine (CAS NO.64552-25-6)


Molecular Formula: C28H41NO3
Molecular Weight: 439.70g/mol
Mol File: 64552-25-6.mol
Boiling point: 584.1 °C at 760 mmHg
Flash Point: 307.1 °C
Density: 1.17 g/cm3
Surface Tension: 48.5 dyne/cm
Enthalpy of Vaporization: 100.21 kJ/mol
Vapour Pressure: 4.46E-16 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of N-Methyljervine (CAS NO.64552-25-6):
  IUPAC Name: (3'aS,7'aR,9R)-3-hydroxy-3',4',6',10,11b-pentamethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
  Canonical SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)N(C1)C
  Isomeric SMILES: CC1C[C@@H]2[C@H](C([C@]3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)N(C1)C
  InChI: InChI=1S/C28H41NO3/c1-15-12-22-25(29(5)14-15)17(3)28(32-22)11-9-20-21-7-6-18-13-19(30)8-10-27(18,4)24(21)26(31)23(20)16(28)2/h6,15,17,19-22,24-25,30H,7-14H2,1-5H3/t15?,17?,19?,20?,21?,22-,24?,25+,27?,28+/m1/s1 
  InChIKey: RKMIVAVNVAGZNT-HXQQKEKESA-N

Safety Profile

Experimental teratogenic effects. When heated to decomposition it emits toxic fumes of NOx.

Specification

 N-Methyljervine , its CAS NO. is 64552-25-6, the synonyms are 4-27-00-03592 (Beilstein Handbook Reference) ; BRN 0060176 ; Jervine, N-methyl- .