Basic information
- CAS
15430-52-1- Standard SMILES
C#CCN.Cl- InChIKey
IKXNIQJDNKPPCH-UHFFFAOYSA-N- Molecular formula
- C3H6ClN
- Average molar mass
- 91.54 g/mol
- Monoisotopic mass
- 91.01887687
Names & identifiers
- Preferred name
- Prop-2-ynylamine hydrochloride
- IUPAC
- prop-2-yn-1-amine;hydrochloride
- English name
- Propargylamine hydrochloride
- Molecular formula
- C3H6ClN
- Molecular weight
- 91.54
Names & synonyms
Prop-2-ynylamine hydrochlorideRefChem:868635239-440-5AI3-52662EINECS 239-440-5NSC 170542Prop-2-ynylamine HClPropargylamine hydrochloride15430-52-1Prop-2-yn-1-amine Hydrochloride2-Propynylamine hydrochloridePropargylamine, Hydrochloride
Show more names
PROPARGYL ACETATE2-PROPYNYL ACETATEPropynylammonium chloridePropargylammonium chloridePROP-2-YNYLAMMONIUM CHLORIDEProp-2-yn-1-aminium chloride
MFCD00012907prop-2-yn-1-amine;hydrochloridePropargylamine HCl3-Amino-1-propyne hydrochloride2-PROPYNYLAMINE HCLPropynylamine HydrochlorideProp-2-yn-1-amine HClPROPARGYL AMINE HCL
Database identifiers
- CAS
15430-52-1- PubChem CID
- 11205720
- DTXSID
DTXSID10934968- EC Number
- 239-440-5
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 38.5
Physicochemical properties
- Melting point
- 179 · 179-182 °C(lit.)
- Boiling point
- 27 · 27-28 °C(lit.)
- Density
- 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.417(lit.)
- Flash point
- 91 °F · 91 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Powder
- color
- White to Light Brown
- Water Solubility
- Soluble in water (partly), methanol, and ethanol.
- Sensitive
- Hygroscopic
- BRN
- 3669858 · 3669858
- Stability
- Moisture Sensitive Highly Toxic
- InChI
- 1S/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H
- InChIKey
- IKXNIQJDNKPPCH-UHFFFAOYSA-N
- SMILES
- Cl.NCC#C
- CAS DataBase Reference
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (95.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- UK5076000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29211990
- risk_code
- 25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Limited Quantities
- 0.5 Kg (solid)
Chemistry & industry
Applications
UsesPropargylamine hydrochloride is a useful intermediates in the preparation of drugs. It is used in pharmaceutical, industries.
UsesA useful intermediates in the preparation of drugs or pesticides
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司
Related reactions
11 records
Compound notes
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