906352-84-9
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE
Name
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE
Formula
C13 H18 N2 O2 . Cl H . H2 O
MolWeight
288.773
1Identification
【Name】
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE
【CAS】
303134-03-4
;906352-84-9
【MDL】
MFCD08741428
【English Synonyms】
【Formula】
C13 H18 N2 O2 . Cl H . H2 O
【MolWeight】
288.773
【Inchi】
InChI=1S/C13H18N2O2.ClH.H2O/c1-14-7-2-8-15(10-9-14)12-5-3-11(4-6-12)13(16)17;;/h3-6H,2,7-10H2,1H3,(H,16,17);1H;1H2
【InChIKey】
InChIKey=QVHUNXKNQMMJPK-UHFFFAOYSA-N
【SMILES】
CN1CCCN(CC1)c2ccc(cc2)C(=O)O.O.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE.cml
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