19992-80-4
BUTIXIRATE
Name
BUTIXIRATE
Formula
C16 H16 O2 . C12 H17 N
MolWeight
415.574
1Identification
【Name】
BUTIXIRATE
【CAS】
【MDL】
MFCD00864284
【English Synonyms】
【Formula】
C16 H16 O2 . C12 H17 N
【MolWeight】
415.574
【Inchi】
InChI=1S/C16H16O2.C12H17N/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-11,15H,2H2,1H3,(H,17,18);1-5,11-12H,6-9,13H2/t;11-,12-
【InChIKey】
InChIKey=KWFFVBCJCQQAIV-CLVGDUISSA-N
【SMILES】
CCC(c1ccc(cc1)c2ccccc2)C(=O)O.c1ccc(cc1)[C@H]2CC[C@@H](CC2)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTIXIRATE.cml
Quick Release
TOP Suppliers
Youchemicals Limited
Catalog No:Y109684
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com
More 19992-80-4 Suppliers>>
Catalog No:Y109684
Country/Region:China
Business Type:Trading Company
http://www.youchemicals.com
More 19992-80-4 Suppliers>>