Home Other Building Blocks methyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride

methyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride

CAS No.:
1170891-84-5
Catalog Number:
AG019LDT
Molecular Formula:
C8H18Cl2N2O2
Molecular Weight:
245.1467
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Product Description
Catalog Number:
AG019LDT
Chemical Name:
methyl 2-(1,4-diazepan-1-yl)acetate dihydrochloride
CAS Number:
1170891-84-5
Molecular Formula:
C8H18Cl2N2O2
Molecular Weight:
245.1467
MDL Number:
MFCD09863849
IUPAC Name:
methyl 2-(1,4-diazepan-1-yl)acetate;dihydrochloride
InChI:
InChI=1S/C8H16N2O2.2ClH/c1-12-8(11)7-10-5-2-3-9-4-6-10;;/h9H,2-7H2,1H3;2*1H
InChI Key:
FBKZRHCBLTVLTM-UHFFFAOYSA-N
SMILES:
COC(=O)CN1CCNCCC1.Cl.Cl
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.144g/mol
Monoisotopic Mass:
244.075g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties