Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-


Chemical Name: Benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-
CAS Number: 305-03-3
Product Number: AG0030DZ(AGN-PC-0JK6BQ)
Synonyms:
MDL No:
Molecular Formula: C14H19Cl2NO2
Molecular Weight: 304.2122

Identification/Properties


Computed Properties
Molecular Weight:
304.211g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
9
Exact Mass:
303.079g/mol
Monoisotopic Mass:
303.079g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335-H350
Precautionary Statements:
P201-P202-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P308+P313-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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