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Reference substances

Reference substances

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General information

Inventory

EC number:
249-204-3
EC name:
4,4'-methylenebis[N,N-bis(2,3-epoxypropyl)aniline]
CAS number:
28768-32-3

No inventory information available

Reference substance information

IUPAC name:
4-({4-[bis(oxiran-2-ylmethyl)amino]phenyl}methyl)-N,N-bis(oxiran-2-ylmethyl)aniline
Synonyms
Names:
Aniline, 4,4'-methylenebis?N,N-bis(2,3-epoxypropyl)-
Oxiranemethanamine, N,N'-(methylenedi-4,1-phenylene) bis[N-(oxiranylmethyl)-
Oxiranemethanamine, N,N'-(methylenedi-4,1-phenylene)bis[N-(oxiranylmethyl)-
Identifier:
CAS number
28768-32-3
Identifier:
IUPAC name
4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline
Identifier:
IUPAC name
4,4'-methylenebis[N,N-bis(2,3-epoxypropyl)aniline]
Identifier:
IUPAC name
4,4'-methylenebis[N,N-bis(oxiran-2-ylmethyl)aniline]
Identifier:
IUPAC name
4-({4-[bis(oxiran-2-ylmethyl)amino]phenyl}methyl)-N,N-bis(oxiran-2-ylmethyl)aniline
Identifier:
IUPAC name
4-({4-[bis(oxiran-2-ylmethyl)amino]phenyl}methyl)-N,N-bis(oxiran-2-ylmethyl)aniline
Identifier:
other: SMILES notation
C(C1CO1)N(CC1CO1)C1=CC=C(CC2=CC=C(C=C2)N(CC2CO2)CC2CO2)C=C1
Identifier:
other: SMILES notation
C(C1CO1)N(CC2CO2)c3ccc(Cc4ccc(cc4)N(CC5CO5)CC6CO6)cc3
Identifier:
other: InChl
InChI=1/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2
Identifier:
other: InChl
InChI=1/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2
Identifier:
other: InChl
InChI=1S/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2
Identifier:
other: SMILES notation
N(CC1CO1)(CC2CO2)C3=CC=C(CC4=CC=C(C=C4)N(CC5CO5)CC6CO6)C=C3
4-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline

CAS information

CAS number:
28768-32-3

Molecular and structural information

Molecular formula:
C25H30N2O4
Molecular weight:
> 422.5 - < 422.6
SMILES notation:
O1[C@@H](CN(c2ccc(cc2)Cc2ccc(N(C[C@@H]3CO3)C[C@@H]3OC3)cc2)C[C@@H]2OC2)C1
InChl:
InChI=1/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2
Structural formula:
Chemical structure