Cas no 42216-29-5 (1-acetamido-3-nitroguanidine)
1-acetamido-3-nitroguanidine structure
Product Name:1-acetamido-3-nitroguanidine
CAS No:42216-29-5
MF:C3H7N5O3
MW:161.119379281998
CID:1513340
PubChem ID:5752038
Update Time:2025-04-21
1-acetamido-3-nitroguanidine Chemical and Physical Properties
Names and Identifiers
-
- 1-acetamido-3-nitroguanidine
- ZINC00143446
- CCG-45859
- 1-Acetamino-3-nitro-guanidin
- 3-nitrobenzoic acid N'-acetylhydrazide
- MCULE-1136540923
- SureCN4603889
- N-Acetyl-N'-nitrocarbamimidoyl-hydrazin
- N-acetylamino-N'-nitro-guanidine
- DFP00246
- N-Acetyl-N'-m-nitrobenzoylhydrazin
- AKOS001581996
- AC1MQ6WA
- ZINC00143446; CCG-45859; 1-Acetamino-3-nitro-guanidin; 3-nitrobenzoic acid N'-acetylhydrazide; MCULE-1136540923; SureCN4603889; N-Acetyl-N'-nitrocarbamimidoyl-hydrazin; N-acetylamino-N'-nitro-guanidine; DFP00246; N-Acetyl-N'-m-nitrobenzoylhydrazin; AKOS001581996; AC1MQ6WA;
- NSC137951
- Acetic acid, 2-[imino(nitroamino)methyl]hydrazide
- N-(N''-nitrocarbamimidoylamino)acetamide
- Guanidine, 1-acetamido-3-nitro-
- NSC 137951
- Acetic acid, (amino(nitroamino)methylene)hydrazide
- Acetic acid, [amino(nitroamino)methylene]hydrazide
- N'-[Imino(2-oxido-2-oxohydrazino)methyl]acetohydrazide #
- 1-Acetamido-2-nitro-guanidine
- NSC-137951
- UYUTZEZTHPTFOY-UHFFFAOYSA-N
- 42216-29-5
-
- Inchi： 1S/C3H7N5O3/c1-2(9)5-6-3(4)7-8(10)11/h1H3,(H,5,9)(H3,4,6,7)
- InChI Key： UYUTZEZTHPTFOY-UHFFFAOYSA-N
- SMILES： O=C(C)N/N=C(\N)/N[N+](=O)[O-]
Computed Properties
- Exact Mass: 161.05501
- Monoisotopic Mass: 161.05488910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.1
- Topological Polar Surface Area: 125?2
Experimental Properties
- PSA: 120.15
- LogP: 0.13880
1-acetamido-3-nitroguanidine Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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