N-(3-Aminopropyl)acetamide - CAS 4078-13-1
Catalog: |
BB024665 |
Product Name: |
N-(3-Aminopropyl)acetamide |
CAS: |
4078-13-1 |
Synonyms: |
N-(3-aminopropyl)acetamide; N-(3-aminopropyl)acetamide |
IUPAC Name: | N-(3-aminopropyl)acetamide |
Description: | N-(3-Aminopropyl)acetamide (CAS# 4078-13-1) is an protected intermediate in the synthesis of analogs of Spermidine (S680400), an antineoplastic agent. |
Molecular Weight: | 116.16 |
Molecular Formula: | C5H12N2O |
Canonical SMILES: | CC(=O)NCCCN |
InChI: | InChI=1S/C5H12N2O/c1-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8) |
InChI Key: | YFZBPSXRYCOKCW-UHFFFAOYSA-N |
LogP: | 1.01190 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020244556-A1 | Method for treating or preventing saccharide-related diseases or disorders | 20190606 |
AU-2015220650-A1 | New phenylazetidine, carboxylate or carboxamide compounds | 20140221 |
CA-2939570-A1 | New phenylazetidine, carboxylate or carboxamide compounds | 20140221 |
EP-3107910-A1 | New phenylazetidine, carboxylate or carboxamide compounds | 20140221 |
FR-3017867-A1 | Novel phenylazetidine carboxylate or carboxamide compounds | 20140221 |
Complexity: | 72.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.094963011 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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Amines and Anilines
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