| CAS Number | 532407-05-9 |
| Catalog Number | AG00DAUI(AGN-PC-044ISW) |
| Chemical Name | N-(2-Azepan-1-ylethyl)-N-isopropylamine |
| IUPAC Name | N-[2-(azepan-1-yl)ethyl]propan-2-amine |
| InChI | InChI=1S/C11H24N2/c1-11(2)12-7-10-13-8-5-3-4-6-9-13/h11-12H,3-10H2,1-2H3 |
| InChI Key | RMZFCHGMKNLUEN-UHFFFAOYSA-N |
| MDL Number | MFCD08691567 |
| Molecular Formula | C11H24N2 |
| Molecular Weight | 184.3217 |
| SMILES | CC(NCCN1CCCCCC1)C |
| Synonyms | 532407-05-9,
N-(2-AZEPAN-1-YLETHYL)-N-ISOPROPYLAMINE,
(2-AZEPAN-1-YLETHYL)ISOPROPYLAMINE,
N-(2-(Azepan-1-yl)ethyl)propan-2-amine,
N-[2-(Azepan-1-yl)ethyl]propan-2-amine,
SCHEMBL5226705,
CTK4J7301,
DTXSID70634710,
CHEMBRDG-BB 4013119,
5052AE,
ZINC32445499,
AKOS005306792,
MCULE-6591399705,
RTR-050713,
AJ-85271,
TR-050713,
[2-(azepan-1-yl)ethyl](propan-2-yl)amine,
Y-4239,
C11H24N2,
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| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.327g/mol |
| Monoisotopic Mass | 184.194g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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