| CAS Number | 1523606-33-8 |
| Catalog Number | AG003989(AGN-PC-0WCXD3) |
| Chemical Name | 3-(Aminomethyl)oxetan-3-amine oxalate |
| IUPAC Name | 3-(aminomethyl)oxetan-3-amine;oxalic acid |
| InChI | InChI=1S/C4H10N2O.C2H2O4/c5-1-4(6)2-7-3-4;3-1(4)2(5)6/h1-3,5-6H2;(H,3,4)(H,5,6) |
| InChI Key | ROZDRMGAUJSRDV-UHFFFAOYSA-N |
| MDL Number | MFCD23703599 |
| Molecular Formula | C6H12N2O5 |
| Molecular Weight | 192.1699 |
| SMILES | C(C(=O)O)(=O)O.NCC1(COC1)N |
| Synonyms | 3-(Aminomethyl)oxetan-3-amine oxalate,
1523606-33-8,
3-Amino-3-oxetanemethanamine oxalate,
1098517-90-8,
3-(aminomethyl)oxetan-3-amine; oxalic acid,
KS-000007UA,
MFCD23703599,
AKOS025289874,
AK171704,
AS-34835,
OR317263,
CS-0051727,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.171g/mol |
| Monoisotopic Mass | 192.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number