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N~2~-Ethylbutane-2,3-diamine

HCID 20163782
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Basic information

CAS
100868-17-5
Standard SMILES
CCNC(C)C(C)N
InChIKey
LLGJLRPFCYMOGI-UHFFFAOYSA-N
Molecular formula
C6H16N2
Average molar mass
116.2 g/mol
Monoisotopic mass
116.13134852

Names & identifiers

Preferred name
N~2~-Ethylbutane-2,3-diamine
IUPAC
3-N-ethylbutane-2,3-diamine

Names & synonyms

100868-17-5N2-Ethylbutane-2,3-diamine2,3-Butanediamine, N-ethyl-N~2~-Ethylbutane-2,3-diamine2,3-Butanediamine, N2-ethyl-SCHEMBL20320861DTXSID40603190

Database identifiers

CAS
100868-17-5
PubChem CID
20163782
DTXSID
DTXSID40603190

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
8
Formal charge
0
Complexity
54.5

Related reactions

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Compound notes

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