Basic information
- Standard SMILES
C#CC(C)N- InChIKey
ZZRMYOZQUCUWFT-UHFFFAOYSA-N- Molecular formula
- C4H7N
- Average molar mass
- 69.11 g/mol
- Monoisotopic mass
- 69.05784922
Names & identifiers
- Preferred name
- But-3-yn-2-amine
- IUPAC
- but-3-yn-2-amine
- English name
- 1-Methyl-prop-2-ynylamine
- Molecular formula
- C4H7N
- Molecular weight
- 69.11
Names & synonyms
But-3-yn-2-amine30389-17-4DTXSID30437800RefChem:330376DTXCID103886241-METHYL-PROP-2-YNYLAMINE3-butyn-2-amineMFCD066583923-Butyn-2-amine (9CI)(S)-1-Methyl-prop-2-ynylamine2-Aminobutin(R)-1-Methyl-prop-2-ynylamine
Show more names
3-Butyn-2-ylamine
3-Butyn-2-amine(9CI)(1-methylprop-2-yn-1-yl)amine hydrochloride3-amino-1-butyneSCHEMBL131697SCHEMBL131698SCHEMBL2910395SCHEMBL11333386ZZRMYOZQUCUWFT-UHFFFAOYSA-N
Database identifiers
- CAS
30389-17-4- PubChem CID
- 10290734
- DTXSID
DTXSID30437800- EC Number
- 108-419-1
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 57.3
Physicochemical properties
- Boiling point
- 82 °C · 82 °C
- Density
- 0.812 g/cm3 · 0.812 g/cm3(Temp: 25 °C)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 8.36 · 8.36±0.29(Predicted)
- form
- liquid
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HS Code
- 2921199990 · 2921199990
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921199990
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
上海智乾生物科技有限公司[email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
宁波奕睿生物科技有限公司15221000252 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
6 records
Linked notes
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