1(2H)-PYRIMIDINEETHANAMINE, TETRAHYDRO-3-METHYL-N-PHENYL-, ETHANEDIOAT E (1:2)

CAS No.
77869-59-1
CCD No.
CCD00241018
Formula
C13 H21 N3 . 2 C2 H2 O4
MolWeight
399.397

Basic Information

Product Name: 1(2H)-PYRIMIDINEETHANAMINE, TETRAHYDRO-3-METHYL-N-PHENYL-, ETHANEDIOAT E (1:2)
CAS: 77869-59-1
English Synonyms: 1(2H)-PYRIMIDINEETHANAMINE, TETRAHYDRO-3-METHYL-N-PHENYL-, ETHANEDIOAT E (1:2)
MDL Number.: MFCD01689377
H bond acceptor: 3
H bond donor: 1
Smile: CN1CCCN(C1)CCNc2ccccc2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChi: InChI=1S/C13H21N3.2C2H2O4/c1-15-9-5-10-16(12-15)11-8-14-13-6-3-2-4-7-13;2*3-1(4)2(5)6/h2-4,6-7,14H,5,8-12H2,1H3;2*(H,3,4)(H,5,6)
InChiKey: InChIKey=QHURIDLCWVWERU-UHFFFAOYSA-N

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