N~1~-(3-Aminopropyl)propane-1,3-diamine--2-(chloromethyl)oxirane (1/1)
Basic information
- CAS
51961-45-6- Standard SMILES
ClCC1CO1.NCCCNCCCN- InChIKey
NWTMPLSLSVYCTM-UHFFFAOYSA-N- Molecular formula
- C9H22ClN3O
- Average molar mass
- 223.74 g/mol
- Monoisotopic mass
- 223.14514
Names & identifiers
- Preferred name
- N~1~-(3-Aminopropyl)propane-1,3-diamine--2-(chloromethyl)oxirane (1/1)
- IUPAC
- N'-(3-aminopropyl)propane-1,3-diamine;2-(chloromethyl)oxirane
- English name
- Epichlorohydrin-3,3'-iminobispropylamine polymer
- Molecular formula
- C9H22ClN3O
- Molecular weight
- 223.74348
Names & synonyms
DTXSID90966287N~1~-(3-Aminopropyl)propane-1,3-diamine--2-(chloromethyl)oxirane (1/1)Epichlorohydrin-3,3'-iminobispropylamine polymer3-propanediamine, n-(3-aminopropyl)- polymer with (chloromethyl)oxirane
Database identifiers
- CAS
51961-45-6- PubChem CID
- 197191
- DTXSID
DTXSID90966287
Properties
Computed structural properties
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 79.4
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N-(3-aminopropyl)-, polymer with (chloromethyl)oxirane (51961-45-6)
- TSCA
- TSCA listed
- Toxicity
- 100 mL · eye-rbt 100 mL SEV NTIS** OTS0536941
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Toxicity
- eye-rbt 100 mL SEV NTIS** OTS0536941
Suppliers
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Related reactions
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Compound notes
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