Basic information
- CAS
616-29-5- Standard SMILES
NCC(O)CN- InChIKey
UYBWIEGTWASWSR-UHFFFAOYSA-N- Molecular formula
- C3H10N2O
- Average molar mass
- 90.12 g/mol
- Monoisotopic mass
- 90.07931294
Names & identifiers
- Preferred name
- 1,3-Diamino-2-propanol
- IUPAC
- 1,3-diaminopropan-2-ol
- English name
- 1,3-Diamino-2-propanol
- Molecular formula
- C3H10N2O
- Molecular weight
- 90.12
Names & synonyms
1,3-Diamino-2-propanol616-29-51,3-Diamino-2-hydroxypropane2-PROPANOL, 1,3-DIAMINO-Diaminoisopropanol2-Hydroxy-1,3-diaminopropane2-Hydroxy-1,3-propanediamineNSC-6070DTXSID3060663L59259H635RefChem:72572DTXCID2043080
Show more names
Glycerol-α,γ-diamine1,3-diamino-2-propano2-Hydroxypropylenediamine1,3-Diamino-2-propanol>1,3-DIAMINO-2-HYDROXYPROPAN1,3-Diamino-2-propanol ,97%
210-474-21,3-Diaminopropan-2-olMFCD00008142C3H10N2OUNII-L59259H635EINECS 210-474-2NSC 6070AI3-15325
Database identifiers
- CAS
616-29-5- PubChem CID
- 61157
- DTXSID
DTXSID3060663- ChEMBL
CHEMBL177097- UNII
- L59259H635
- EC Number
- 210-474-2
- Nikkaji
- J1.660H
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 28
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 40 · 40-44 °C(lit.)
- Boiling point
- 235 °C · 235°C
- Density
- 1.0352 · 1.0352 (rough estimate)
- refractive index
- 1.461 · 1.4610 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 1 g/10 · water: soluble1g/10 mL
- form
- Low Melting Solid
- pka
- 9.69 · 9.69, 7.93(at 20℃)
- color
- White to yellow
- Water Solubility
- Very soluble in water.
- BRN
- 741859 · 741859
- InChI
- InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
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
This chemical does not meet GHS hazard criteria for 3.2% (5 of 158) of reports.
Danger
H302 (67.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 158 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Propanol, 1,3-diamino-
2-Propanol, 1,3-diamino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,3-diamino- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7476
Hazard Classes and CategoriesAcute Tox. 4 (67.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3259
- hs_code
- 29221990
- risk_code
- 36/37/38
- Signal word
- Warning
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 198,634 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2-Propanol, 1,3-diamino-: ACTIVE
Applications
Description1,3-Diamino-2-propanol (DAP), also known as 2-hydroxy-1,3-diaminopropane, is a white to yellowish low melting solid. Keep in a cool, well-ventilated place. Avoid prolonged storage periods. Store under inert gas, in a tightly sealed container and at ambient temperatures. 1,3-Diamino-2-propanol is incompatible with acids and strong oxidizing agents and should not be stored or handled in their vicinity.
Uses1,3-Diamino-2-propanol is a versatile bidentate diamine ligand which is used in the synthesis of a variety of organometallic compounds.It is a precursor to synthesize the fluorogenic dsDNA binder, N1,N3-bis(4-amidinophenyl)propane-1,3-diamine (BAPPA).It can also be used as a branching unit in the synthesis of peptide dendrimers.
Preparation methods
Preparation1,3-Diamino-2-propanol is synthesized by reacting Epichlorohydrin with ammonia in alkaline environment by adding sodium hydroxide. Afterwards, the product undergoes a series of purification steps.
Upstream & downstream products
Downstream products
Related reactions
48 records
Compound notes
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