Home Carboxys 2-methylpropyl 1,4-diazepane-1-carboxylate

2-methylpropyl 1,4-diazepane-1-carboxylate

CAS No.:
253175-99-4
Catalog Number:
AG01A8TW
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
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Product Description
Catalog Number:
AG01A8TW
Chemical Name:
2-methylpropyl 1,4-diazepane-1-carboxylate
CAS Number:
253175-99-4
Molecular Formula:
C10H20N2O2
Molecular Weight:
200.2780
MDL Number:
MFCD11128918
IUPAC Name:
2-methylpropyl 1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C10H20N2O2/c1-9(2)8-14-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3
InChI Key:
ZVOQTQAVQBWFSB-UHFFFAOYSA-N
SMILES:
CC(COC(=O)N1CCNCCC1)C
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.152g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.282g/mol
Monoisotopic Mass:
200.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties