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828272-05-5 | 1,4,8,11-Tetraazacyclotetradecane-1-propanoyl chloride
CAS No: 828272-05-5 Catalog No: AG004SXU MDL No:
Product Description
Catalog Number:
AG004SXU
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-1-propanoyl chloride
CAS Number:
828272-05-5
Molecular Formula:
C13H29ClN4O
Molecular Weight:
292.8486
IUPAC Name:
propanoyl chloride;1,4,8,11-tetrazacyclotetradecane
InChI:
InChI=1S/C10H24N4.C3H5ClO/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;1-2-3(4)5/h11-14H,1-10H2;2H2,1H3
InChI Key:
DEZKMSCDPAJECQ-UHFFFAOYSA-N
SMILES:
C1CNCCNCCCNCCNC1.CCC(=O)Cl
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.203g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
292.852g/mol
Monoisotopic Mass:
292.203g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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