4-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrate,hydrochloride
-
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrate,hydrochloride
structure -
-
CAS No:
906352-84-9
-
Formula:
C13H21ClN2O3
-
Chemical Name:
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrate,hydrochloride
-
Synonyms:
OR2080; 4-(4-Methyl-homopiperazin-1-yl)benzoic acid hydrochloride hydrate; 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid hydrate hydrochloride; 4-(4-Methylperhydro-1,4-diazepin-1-yl)benzoic acid hydrochloride hydrate; 1-(4-Carboxyphenyl)-4-methylhomopiperazine monochloride monohydrate; Benzoicacid,4-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-,hydrochloride,hydrate(1:1:1);Expand
-
CAS No:
4-(4-methyl-1,4-diazepan-1-yl)benzoic acid,hydrate,hydrochloride Basic Attributes
288.77000
288.1240702
DTXSID90594660
2933990090
Safety Information
Xi
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:288.77
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:288.1240702
Monoisotopic Mass:288.1240702
Topological Polar Surface Area:44.8
Heavy Atom Count:19
Complexity:262
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
Request for Quotation