| CAS Number | 61903-15-9 |
| Catalog Number | AG00JVFC(AGN-PC-015TK5) |
| Chemical Name | 1-(1,4-diazepan-1-yl)-2-methylpropan-1-one |
| IUPAC Name | 1-(1,4-diazepan-1-yl)-2-methylpropan-1-one |
| InChI | InChI=1S/C9H18N2O/c1-8(2)9(12)11-6-3-4-10-5-7-11/h8,10H,3-7H2,1-2H3 |
| InChI Key | ZHQHWBADDPLOQE-UHFFFAOYSA-N |
| MDL Number | MFCD09035883 |
| Molecular Formula | C9H18N2O |
| Molecular Weight | 170.2520 |
| SMILES | CC(C(N1CCNCCC1)=O)C |
| Synonyms | 1-(1,4-diazepan-1-yl)-2-methylpropan-1-one,
61903-15-9,
AC1Q1NXN,
SCHEMBL10157078,
CTK2D0495,
DTXSID40588236,
KS-00001NV4,
MFCD09045730,
ZINC19679920,
AKOS000129643,
MCULE-1484025523,
NE14174,
EN300-67272,
Z927323122,
1H-1,4-Diazepine, hexahydro-1-(2-methyl-1-oxopropyl)-,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.256g/mol |
| Monoisotopic Mass | 170.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number