Basic information
- CAS
49565-47-1- Standard SMILES
C#CCNC1CC1- InChIKey
QNJFRCLMHDVMQQ-UHFFFAOYSA-N- Molecular formula
- C6H9N
- Average molar mass
- 95.14 g/mol
Names & identifiers
- Preferred name
- N-(prop-2-yn-1-yl)cyclopropanamine
- IUPAC
- N-prop-2-ynylcyclopropanamine
- English name
- Cyclopropyl-prop-2-ynyl-amine
- Molecular formula
- C6H9N
- Molecular weight
- 95.14
Names & synonyms
N-(prop-2-yn-1-yl)cyclopropanamine49565-47-1RefChem:828613858-011-9N-prop-2-ynylcyclopropanamineN-Cyclopropyl-N-(prop-2-ynyl)amineSCHEMBL1744522QNJFRCLMHDVMQQ-UHFFFAOYSA-NAKOS005216348CS-0312140EN300-151667Z138414626
Show more names
Cyclopropyl-prop-2-ynyl-amineN-(prop-2-ynyl)cyclopropanamineCyclopropanamine, N-2-propyn-1-yl-
Database identifiers
- CAS
49565-47-1- PubChem CID
- 12372797
- EC Number
- 858-011-9
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 94
Physicochemical properties
- Boiling point
- 159.283 · 159.283±13.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.932 · 0.932±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.68 · 6.680±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314-H335
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS05
- Hazard statements
- H226-H314-H335
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers9 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
4 records
Compound notes
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