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Home > Product > Heterocyclic Organic Compounds > Benzoicacid,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-,hydrochloride,hydrate(1:1:1)

Benzoicacid,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-,hydrochloride,hydrate(1:1:1) | CAS Number: 906352-84-9

Catalog Number
ACM906352849
Product Name
Benzoicacid,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-,hydrochloride,hydrate(1:1:1)
Structure
CAS Number
906352-84-9
IUPAC Name
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrate;hydrochloride
Synonyms
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE;4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE 95+%
Molecular Weight
288.77044
Exact Mass
288.12400
Molecular Formula
C13H18N2O2.ClH.H2O
Boiling Point
499.9ºC at 760 mmHg
Flash Point
256.1ºC
Purity
96%
SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.O.Cl
InChIKey
QVHUNXKNQMMJPK-UHFFFAOYSA-N
H-Bond Donor
3
H-Bond Acceptor
5
Hazard Statements
Xi
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