29138-41-8
1-PHTHALANPROPYLAMINE, 3,3-DIMETHYL-1-PHENYL-, OXALATE
Name1-PHTHALANPROPYLAMINE, 3,3-DIMETHYL-1-PHENYL-, OXALATE
FormulaC19 H23 N O . C2 H2 O4
1Identification
【Name】
1-PHTHALANPROPYLAMINE, 3,3-DIMETHYL-1-PHENYL-, OXALATE
【CAS】
【MDL】
MFCD01704652
【English Synonyms】
【Formula】
C19 H23 N O . C2 H2 O4
【MolWeight】
371.431
【Inchi】
InChI=1S/C19H23NO.C2H2O4/c1-18(2)16-11-6-7-12-17(16)19(21-18,13-8-14-20)15-9-4-3-5-10-15;3-1(4)2(5)6/h3-7,9-12H,8,13-14,20H2,1-2H3;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=DZLQVEDZCDDAKY-UHFFFAOYSA-N
【SMILES】
CC1(c2ccccc2C(O1)(CCCN)c3ccccc3)C.C(=O)(C(=O)O)O
【MOL File】
1-PHTHALANPROPYLAMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PHTHALANPROPYLAMINE, 3,3-DIMETHYL-1-PHENYL-, OXALATE.cml