730933-25-2
4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZOIC ACID
Name
4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZOIC ACID
Formula
C13 H18 N2 O2
MolWeight
234.297
1Identification
【Name】
4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD11168679
【English Synonyms】
【Formula】
C13 H18 N2 O2
【MolWeight】
234.297
【Inchi】
InChI=1S/C13H18N2O2/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)
【InChIKey】
InChIKey=UHGWCXACFHTELK-UHFFFAOYSA-N
【SMILES】
CN1CCCN(CC1)c2ccc(cc2)C(=O)O
【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-METHYL-1,4-DIAZEPAN-1-YL)BENZOIC ACID.cml
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Catalog No:M90207 nullnull
Country/Region:United States
Business Type:Others
http://www.tygersci.com
Avistron Chemistry Services Ltd.
Catalog No:AV00050 5G
Catalog No:AV00050 1G
Country/Region:United Kingdom
Business Type:Trading Company
http://www.avistronchemistry.com
Shanghai AOKChem Co., Limited
Catalog No:K1830
Country/Region:China
Business Type:Trading Company
http://www.AOKchem.com
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