4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE

Modify Date: 2025-09-24 08:26:09

4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE Structure
4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE structure
Common Name 4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE
CAS Number 303134-03-4 Molecular Weight 270.75500
Density N/A Boiling Point N/A
Molecular Formula C13H19ClN2O2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrochloride

 Chemical & Physical Properties

Molecular Formula C13H19ClN2O2
Molecular Weight 270.75500
Exact Mass 270.11400
PSA 43.78000
LogP 2.33160
InChIKey KJZVHMAKWMCIBB-UHFFFAOYSA-N
SMILES CN1CCCN(c2ccc(C(=O)O)cc2)CC1.Cl

 Synthetic Route

~%

4-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOIC ACID HYDROCHLORIDE HYDRATE Structure

4-(4-METHYLPERH...

CAS#:303134-03-4

Literature: Hirayama, Fukushi; Koshio, Hiroyuki; Ishihara, Tsukasa; Seki, Norio; Haehiya, Shunichiro; Sugasawa, Keizo; Shiraki, Ryota; Koga, Yuji; Matsumoto, Yuzo; shigenaga, Takeshi; Kawazoe, Souichirou Patent: US2003/195193 A1, 2003 ;

 Precursor & DownStream

Precursor  1

DownStream  0

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