Basic information
- Standard SMILES
NCCCn1ccnc1- InChIKey
KDHWOCLBMVSZPG-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529735
Overview
3-(1H-imidazol-1-yl)propylamine is a member of imidazoles.
Names & identifiers
- Preferred name
- 1H-Imidazole-1-propanamine
- IUPAC
- 3-imidazol-1-ylpropan-1-amine
- English name
- N-(3-Aminopropyl)-imidazole
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
1-(3-Aminopropyl)imidazole5036-48-61H-Imidazole-1-propanamineQN37N4JU4VDTXSID70636851-[3-Aminopropyl]imidazoleRefChem:438371DTXCID6040822225-730-9N-(3-Aminopropyl)-imidazole3-(1H-Imidazol-1-Yl)Propan-1-AmineN-(3-Aminopropyl)imidazole
Show more names
N3APILupragen APILUPRAGEN(R) API1-(3-AminopropyLN-(3-Aminopropyl)-imAminopropylimidazole3-Imidazo Propyl Amine
3-imidazol-1-ylpropan-1-amineMFCD000098191-(3-Aminopropyl)-1H-imidazole3-(1H-imidazol-1-yl)propylamine1-(3-aminopropyl) imidazole1-(3-Aminopropyl)-imidazole3-(imidazol-1-yl)propylamine3-IMIDAZOLYLPROPYLAMINE
Database identifiers
- CAS
5036-48-6- PubChem CID
- 78736
- DTXSID
DTXSID7063685- ChEMBL
CHEMBL3984871- ChEBI
CHEBI:194835- UNII
- QN37N4JU4V
- EC Number
- 225-730-9
- Nikkaji
- J203.264C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 74.7
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -68 °C · -68 °C
- Boiling point
- 296 °C · 296 °C
- Density
- 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
- vapor pressure
- 0.12 Pa · 0.12Pa at 20℃
- refractive index
- 20 · n20/D 1.519(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 9.08 · 9.08±0.10(Predicted)
- color
- Clear colorless
- PH
- 11.3 · 11.3 (10g/l, H2O, 20℃)
- explosive limit
- 1 · 1.0-6.4%(V)
- Water Solubility
- miscible
- InChI
- 1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
- InChIKey
- KDHWOCLBMVSZPG-UHFFFAOYSA-N
- SMILES
- NCCCn1ccnc1
- LogP
- -0.57 at · -0.57 at 23℃
- CAS DataBase Reference
- 5036 · 5036-48-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-(3-Aminopropyl)imidazole(5036-48-6)
- EPA Substance Registry System
- 1 H-Imidazole-1-propanamine · 1H-Imidazole-1-propanamine (5036-48-6)
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H412
- Precautionary statements
- 270 · P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-22
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 3267 · UN 3267 8/PG 2
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29332990 · 29332990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (82.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 223 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Imidazole-1-propanamine
1H-Imidazole-1-propanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-propanamine 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11509
1H-Imidazole-1-propanamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (82.1%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29332990
- risk_code
- 34-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302-H314-H412
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1H-Imidazole-1-propanamine: ACTIVE
Applications
Uses1-(3-Aminopropyl)imidazole is used in the synthesis of pH-sensitive polyaspartamide derivatives. It is also used in the preparation of pH-sensitive amphiphilic polymers with different degrees of octaceylamine (C18) substitution by graft reaction.
Uses1-(3-Aminopropyl)imidazole was used in the synthesis of pH-sensitive polyaspartamide derivatives. It was also used in the preparation of pH-sensitive amphiphilic polymers with different degrees of octaceylamine (C18) substitution by graft reaction.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Additional notes
DefinitionChEBI: 3-(1H-imidazol-1-yl)propylamine is a member of imidazoles.
Related reactions
308 records
Linked notes
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