2,4-Pentanediamine
Basic information
- CAS
591-05-9- Standard SMILES
CC(N)CC(C)N- InChIKey
JGQDLMSXMOGEMC-UHFFFAOYSA-N- Molecular formula
- C5H14N2
- Average molar mass
- 102.18 g/mol
- Monoisotopic mass
- 102.11569846
Names & identifiers
- Preferred name
- 2,4-Pentanediamine
- IUPAC
- pentane-2,4-diamine
Names & synonyms
pentane-2,4-diamine2,4-Pentanediamine591-05-9DTXSID00306352RefChem:443953DTXCID90257480849-601-72,4-diaminopentaneNSC175855SCHEMBL635314SCHEMBL4990379SCHEMBL4990386
Show more names
SCHEMBL6530708SCHEMBL16111087SCHEMBL27812445AKOS006348071NSC-175855DB-181626EN300-2983448
Database identifiers
- CAS
591-05-9- PubChem CID
- 300673
- DTXSID
DTXSID00306352- EC Number
- 849-601-7
- Nikkaji
- J802.243G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 39.3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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