| CAS Number | 1392804-87-3 |
| Catalog Number | AG001AO2(AGN-PC-0WCKDC) |
| Chemical Name | (5,8-Dioxa-spiro[3.4]oct-2-yl)methylamine |
| IUPAC Name | 5,8-dioxaspiro[3.4]octan-2-ylmethanamine |
| InChI | InChI=1S/C7H13NO2/c8-5-6-3-7(4-6)9-1-2-10-7/h6H,1-5,8H2 |
| InChI Key | LMLIBJBAFGAYBP-UHFFFAOYSA-N |
| MDL Number | MFCD23106176 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | NCC1CC2(OCCO2)C1 |
| Synonyms | 5,8-dioxaspiro[3.4]octan-2-ylmethanamine,
1392804-87-3,
(5,8-Dioxa-spiro[3.4]oct-2-yl)methylamine,
SCHEMBL20006093,
MFCD23106176,
ZINC95743108,
FCH2311266,
PB36560,
SB20964,
KS-000007P2,
AK171599,
AS-34774,
5,8-Dioxaspiro[3.4]octane-2-methanamine,
CS-0050716,
Q-4862,
(5,8-Dioxa-spiro[3.4]oct-2-yl)methylamine, AldrichCPR,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^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