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Structure

Benzoicacid,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-,hydrochloride,hydrate(1:1:1)

CAS
906352-84-9
Catalog Number
ACM906352849
Category
Other Products
Molecular Weight
288.77044
Molecular Formula
C13H18N2O2.ClH.H2O

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Specification

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+%
IUPAC Name
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrate;hydrochloride
Canonical SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.O.Cl
InChI Key
QVHUNXKNQMMJPK-UHFFFAOYSA-N
Boiling Point
499.9ºC at 760 mmHg
Flash Point
256.1ºC
Exact Mass
288.12400
Hazard Statements
Xi
H-Bond Acceptor
5
H-Bond Donor
3
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