Basic information
- CAS
3717-44-0- Standard SMILES
CCNC12CC3CC(CC(C3)C1)C2- InChIKey
VXGGWVBRICYCGO-UHFFFAOYSA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Names & identifiers
- Preferred name
- N-Ethyladamantan-1-amine
- IUPAC
- N-ethyladamantan-1-amine
- English name
- n-ethyl-1-adamantanamin
- Molecular formula
- C12H21N
- Molecular weight
- 179.3
Names & synonyms
N-ethyladamantan-1-amineDTXSID90958369RefChem:829981DTXCID90202839984-988-73717-44-0N-Ethyl-1-adamantanaminen-ethyl-1-adamantanaminN-1-adamantyl-N-ethylamine hydrochloride1-adamantyl(ethyl)amine hydrochloride1-Ethylaminoadamantane1-ADAMANTANAMINE, N-ETHYL-
Show more names
1-adamantyl(ethyl)amine1-N-ethylaminoadamantane1-adamantyl(ethyl)ammonium1-adamantyl-ethyl-amine hydrochlorideN-ethyl-1-adamantanamine hydrochlorideN-ethyladamantan-1-amine hydrochloride
BRN 2350692Tricyclo[3.3.1.13,7]decan-1-amine, N-ethyl-MFCD01674014N-Ethyltricyclo(3.3.1.1(sup 3,7))decan-1-amineN-ethylaminoadamantaneTricyclo(3.3.1.1(sup 3,7))decan-1-amine, N-ethyl-Enamine_005110Tricyclo[3.3.1.13,7]decan-1-amine,N-ethyl-
Database identifiers
- CAS
3717-44-0- PubChem CID
- 19480
- DTXSID
DTXSID90958369- EC Number
- 984-988-7
- Nikkaji
- J73.378D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 101 · 101.0-102.5 °C(Press: 7 Torr)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 11.4 · 11.40±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers6 total
阳谷荣科商贸有限公司15863541132 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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