Basic information
- CAS
14044-63-4- Standard SMILES
C#CCCN- InChIKey
XSBPYGDBXQXSCU-UHFFFAOYSA-N- Molecular formula
- C4H7N
- Average molar mass
- 69.11 g/mol
- Monoisotopic mass
- 69.05784922
Names & identifiers
- Preferred name
- But-3-yn-1-amine
- IUPAC
- but-3-yn-1-amine
- English name
- But-3-yn-1-amine
- Molecular formula
- C4H7N
- Molecular weight
- 69.11
Names & synonyms
But-3-yn-1-amine14044-63-4RefChem:570532686-932-43-Butyn-1-amine1-AMINO-3-BUTYNEBUT-3-YNYLAMINE3-BUTYNYLAMINEMFCD099977414-aminobutynebut3-ynyl-amine4-AMINO-1-BUTYNE
Show more names
3-Butyn-1-ylaminebutyl-3-yne-1-amine1-AMino-3-butyne 95%3-Butyn-1-amine (9CI)
1-amino-but-3-yne1-Amino-3-butyne, 95%DTXSID80903782AKOS005266497AB55798EN300-76549FT-0645289SCHEMBL11603
Database identifiers
- CAS
14044-63-4- PubChem CID
- 10034574
- DTXSID
DTXSID80903782- EC Number
- 686-932-4
- Nikkaji
- J1.483.930E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 47.9
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Boiling point
- 105 ℃ · 105℃
- Density
- 0.844 g/mL · 0.844 g/mL at 25 °C
- refractive index
- 1.4438 · 1.4438 (20℃)
- Flash point
- 10 ℃ · 10℃
- storage temp.
- 2 · 2-8°C
- pka
- 8.86 · 8.86±0.10(Predicted)
- form
- liquid
- color
- Clear, faint yellow
- InChI
- InChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2
- InChIKey
- XSBPYGDBXQXSCU-UHFFFAOYSA-N
- SMILES
- C(N)CC#C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2733 3/PG 2
- hs_code
- 2921199990
- risk_code
- 11-22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- safety_code
- 26-36/37/39-45
- hazard_class
- 3, 8
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302-H314
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses1-Amino-3-butyne, a bifunctional linker can be used:In Buchwald–Hartwig amination reaction of 1,2,3,4-tetrahydroacridine trifluoromethanesulfonate derivative.As a reagent to synthesize dialkynylamides from diacids.For the post-polymerization modification of poly(2-alkyl/aryl-2-oxazoline)s (PAOx) polymer by amidation of its methyl ester side chains.As a crosslinker which can bind with resin as well as nanocrystalline cellulose to facilitate the terminal alkyne group for further functionalizations.
Upstream & downstream products
Upstream raw materials
Related reactions
7 records
Compound notes
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