Cas no 591735-92-1 ( )
structure
Product Name:
CAS No:591735-92-1
MF:C12H17N3O2
MW:235.282282590866
CID:949773
PubChem ID:2940922
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-methyl-2-nitro-5-(1-piperidinyl)- (9CI)
- N-methyl-2-nitro-5-piperidin-1-ylaniline
- AC1MGSQ5
- AG-G-10509
- CTK5A9534
- MolPort-001-585-397
- N-methyl-2-nitro-5-(piperidin-1-yl)aniline
- STK157721
- SR-01000263784
- SR-01000263784-1
- N-methyl-2-nitro-5-(1-piperidinyl)aniline
- 591735-92-1
- DTXSID70387916
- N-methyl-2-nitro-5-piperidinoaniline
- AKOS000423409
- Benzenamine,N-methyl-2-nitro-5-(1-piperidinyl)-(9ci)
-
-
- Inchi： 1S/C12H17N3O2/c1-13-11-9-10(5-6-12(11)15(16)17)14-7-3-2-4-8-14/h5-6,9,13H,2-4,7-8H2,1H3
- InChI Key： WQIZUZPGLGNQOU-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1NC)N1CCCCC1)=O
Computed Properties
- Exact Mass: 235.132076794g/mol
- Monoisotopic Mass: 235.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 61.1?2
Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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