3-Amino-3-methyl-2-pyrrolidone - CAS 105433-86-1
Catalog: |
BB075322 |
Product Name: |
3-Amino-3-methyl-2-pyrrolidone |
CAS: |
105433-86-1 |
Synonyms: |
3-Amino-3-methylpyrrolidin-2-one; 3-AMINO-3-METHYL-2-PYRROLIDINONE |
IUPAC Name: | 3-amino-3-methylpyrrolidin-2-one |
Molecular Weight: | 114.15 |
Molecular Formula: | C5H10N2O |
Canonical SMILES: | CC1(CCNC1=O)N |
InChI: | InChI=1S/C5H10N2O/c1-5(6)2-3-7-4(5)8/h2-3,6H2,1H3,(H,7,8) |
InChI Key: | ADCBCVDWUYMSGD-UHFFFAOYSA-N |
References: | Deaton, D., et al. Bioorg. Med. Chem., 27 1456-1478 (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.079312947 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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