1,3,5-Triazatricyclo[3.3.1.1,3,7]decan-7-amine
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Basic information
- CAS
14707-75-6- Standard SMILES
NC12CN3CN(CN(C3)C1)C2- InChIKey
WXMJWQSOWLXJOA-UHFFFAOYSA-N- Molecular formula
- C7H14N4
- Average molar mass
- 154.21 g/mol
Names & identifiers
- Preferred name
- 1,3,5-Triazatricyclo[3.3.1.1,3,7]decan-7-amine
- IUPAC
- 1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
- English name
- 1,3,5-Triazatricyclo[3.3.1.1(3,7)]decan-7-amine
- Molecular formula
- C7H14N4
- Molecular weight
- 154.21
Names & synonyms
14707-75-61,3,5-triazatricyclo[3.3.1.1,3,7]decan-7-amine1,3,5-triazatricyclo(3.3.1.1,3,7)decan-7-amineRefChem:412493963-315-01,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine1,3,5-Triazaadamantan-7-amine7-Amino-1,3,5-triazaadamantane1,3,5-Triazatricyclo[3.3.1.1(3,7)]decan-7-amine1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amineMFCD004842221,3,5-Triaza-7-adamantylamine
Show more names
TIMTEC-BB SBB0015901,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine(SALTDATA: FREE)
1,3,5-TRIAZATRICYCLO[3.3.1.1(3),?]DECAN-7-AMINE(1s,3s,5s)-1,3,5-triazaadamantan-7-amine1,3,5-triazatricyclo[3.3.1.1(3),]decan-7-amine3,5,7-triazatricyclo[3.3.1.1<3,7>]decylamineSCHEMBL2391301CHEMBL1617072ALBB-000036SBB001590
Database identifiers
- CAS
14707-75-6- PubChem CID
- 535684
- ChEMBL
CHEMBL1617072- EC Number
- 963-315-0
- Nikkaji
- J1.640.203F
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 35.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 300 · 300-310 °C
- Boiling point
- 227.2 · 227.2±8.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.20(Predicted)
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Suppliers
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Related reactions
2 records
Compound notes
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