| CAS Number | 1438241-18-9 |
| Catalog Number | AG001IF9(AGN-PC-0WCJRP) |
| Chemical Name | 2-OXASPIRO[3.3]HEPTAN-6-YLMETHANAMINE |
| IUPAC Name | 2-oxaspiro[3.3]heptan-6-ylmethanamine |
| InChI | InChI=1S/C7H13NO/c8-3-6-1-7(2-6)4-9-5-7/h6H,1-5,8H2 |
| InChI Key | WSYVSHRXSUYFFB-UHFFFAOYSA-N |
| MDL Number | MFCD22628749 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | NCC(C1)CC21COC2 |
| Synonyms | 2-oxaspiro[3.3]heptan-6-ylmethanamine,
1438241-18-9,
2-OXASPIRO[3.3]HEPTANE-6-METHAMINE,
2-Oxaspiro[3.3]heptane-6-methanamine,
2-Oxaspiro[3.]heptane-6-methamine,
MFCD22628749,
ZINC95630856,
AKOS025290285,
FCH2298602,
PB35685,
SB20616,
KS-000007G2,
AK172483,
AS-32720,
(2-oxaspiro[3.3]heptan-6-yl)methanamine,
CS-0051819,
Q-4733,
F2147-4687,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number