| CAS Number | 258345-24-3 |
| Catalog Number | AG00C247(AGN-PC-03XTAV) |
| Chemical Name | 1-(1-Isobutylpiperidin-4-YL)methanamine |
| IUPAC Name | [1-(2-methylpropyl)piperidin-4-yl]methanamine |
| InChI | InChI=1S/C10H22N2/c1-9(2)8-12-5-3-10(7-11)4-6-12/h9-10H,3-8,11H2,1-2H3 |
| InChI Key | PGTRGAHRESDWCZ-UHFFFAOYSA-N |
| MDL Number | MFCD07365294 |
| Molecular Formula | C10H22N2 |
| Molecular Weight | 170.2951 |
| SMILES | N1(CCC(CC1)CN)CC(C)C |
| Synonyms | 258345-24-3,
1-(1-ISOBUTYLPIPERIDIN-4-YL)METHANAMINE,
(1-Isobutylpiperidin-4-yl)methanamine,
(1-iso-butyl-4-piperidyl)methylamine,
AKOS SB-011,
SCHEMBL599158,
CTK4F6535,
DTXSID70629404,
MFCD07365294,
ZINC11888976,
AKOS000210570,
MCULE-4276275715,
1-(1-Isobutyl-4-piperidinyl)methanamine,
AJ-60351,
AS-42959,
[1-(2-methylpropyl)piperidin-4-yl]methanamine,
Y-2826,
1-[1-(2-Methylpropyl)piperidin-4-yl]methanamine,
F2187-0071,
AKOSSB-011,
(1-isobutyl-4-piperidinyl)methanamine,
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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 | 170.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.3g/mol |
| Monoisotopic Mass | 170.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number