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1-AZIRIDINEACETAMIDE, N,N'-(p-PHENYLENEDIMETHYLENE)BIS-

HCID 25158
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Basic information

CAS
10328-31-1
Standard SMILES
O=C(CN1CC1)NCc1ccc(CNC(=O)CN2CC2)cc1
InChIKey
LHLWBBYCNRXYAA-UHFFFAOYSA-N
Molecular formula
C16H22N4O2
Average molar mass
302.37 g/mol
Monoisotopic mass
302.17427596

Names & identifiers

Preferred name
1-AZIRIDINEACETAMIDE, N,N'-(p-PHENYLENEDIMETHYLENE)BIS-
IUPAC
2-(aziridin-1-yl)-N-[[4-[[[2-(aziridin-1-yl)acetyl]amino]methyl]phenyl]methyl]acetamide
English name
N,N'-(p-Phenylenedimethylene)bis(1-aziridineacetamide)
Molecular formula
C16H22N4O2
Molecular weight
302.37

Names & synonyms

10328-31-1N,N'-(p-Phenylenedimethylene)bis(1-aziridineacetamide)N,N'-Bis(aziridineacetyl)-1,4-xylylenediamine1-AZIRIDINEACETAMIDE, N,N'-(p-PHENYLENEDIMETHYLENE)BIS-NSC-1156151-Aziridineacetamide, N,N'-(1,4-phenylenebis(methylene))bis-1-Aziridineacetamide, N,N'-[1,4-phenylenebis(methylene)]bis-N,4-xylylenediamineN,N'-Bis-aziridinylacetyl-1,4-xylenediamineNSC 115615BRN 1326686N,N'-(p-Xylylene)bis(2-(1-aziridinyl)acetamide)
Show more names
1-Aziridineacetamide, N,N'-[1,4-phenylenebis(methylene)]bis- (9CI)
Acetamide, N,N'-(p-xylylene)bis(2-(1-aziridinyl)-NSC1156152-(aziridin-1-yl)-N-[[4-[[[2-(aziridin-1-yl)acetyl]amino]methyl]phenyl]methyl]acetamideT97KDL3JMZN,N/'-(p-Phenylenedimethylene)bis(1-aziridineacetamide)DTXSID201457401-Aziridineacetamide,N'-(p-phenylenedimethylene)bis-1-Aziridineacetamide,N'-[1,4-phenylenebis(methylene)]bis-

Database identifiers

CAS
10328-31-1
PubChem CID
25158
DTXSID
DTXSID20145740
UNII
T97KDL3JMZ
Nikkaji
J4.498I

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
64.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
361

Physicochemical properties

Boiling point
602.8 · 602.8±55.0 °C(Predicted)
Density
1.256 · 1.256±0.06 g/cm3(Predicted)
pka
14.99 · 14.99±0.46(Predicted)

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Compound notes

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