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(1S,2S)-2-(6-hydrazinyl-9H-purin-9-yl)cyclopentanol
CAS:
6265-98-1
MW:
234.263
MF:
C10H14N6O
 
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Names and ldentifier
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
(1S,2S)-2-(6-hydrazinyl-9H-purin-9-yl)cyclopentanol
1.2 Synonyms
(1S,2S)-2-(6-Hydrazino-9H-purin-9-yl)cyclopentanol; (1S,2S)-2-(6-hydrazinylpurin-9-yl)cyclopentan-1-ol; AC1L5QST; AC1Q4YNI; AR-1A1507; CTK5B5487; Cyclopentanol, 2-(6-hydrazino-9H-purin-9-yl)-, trans-; Cyclopentanol, 2-(6-hydrazinyl-9H-purin-9-yl)-, (1S,2S)-; HE254670; KST-1A7393; NSC 32803; nsc32803;
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1.3 CAS No.
6265-98-1
1.4 CID
233785
1.5 Molecular Formula
C10H14N6O
1.6 Inchi
InChI=1S/C10H14N6O/c11-15-9-8-10(13-4-12-9)16(5-14-8)6-2-1-3-7(6)17/h4-7,17H,1-3,11H2,(H,12,13,15)/t6-,7-/m0/s1
1.7 InChkey
CBAKRDAAEDNCQQ-BQBZGAKWSA-N
1.8 Canonical Smiles
C1CC(C(C1)O)N2C=NC3=C(N=CN=C32)NN
1.9 Isomers Smiles
C1C[C@@H]([C@H](C1)O)N2C=NC3=C(N=CN=C32)NN
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. NMR Spectrum
13C NMR : Predict
1H NMR : Predict
4. Computed Properties
Molecular Weight:
234.263g/mol
Molecular Formula:
C
10
H
14
N
6
O
Compound Is Canonicalized:
True
Exact Mass:
-0.2
XLogP3-AA:
234.12290909
Monoisotopic Mass:
234.12290909
Complexity:
278
Rotatable Bond Count:
2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Topological Polar Surface Area:
102
Heavy Atom Count::
17
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADccBzoAAAAAAAAAAAAAAAAAAAAeIAAAAsAAAAAAAAAFgB+AAAHgAYCAAACDzhlwYF8L9uEgCgAQZhZACAhC0REKIVcCAoVBCCWAJAyEAURAgMAALQACCQEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAA==
5. Toltal 1 Suppliers
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Chemenu Inc.
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Update Time:
2022/01/01
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6. Realated Product Infomation
9-ethyl-6-hydrazinyl-9H-purine
cas:5427-21-4
8-hydrazinyl-1,3,7-trimethyl-purine-2,6-dione
cas:53703-63-2
(E)-6-(2-(4-isopropylbenzylidene)hydrazinyl)-9H-purine
cas:537667-32-6
(E)-6-(2-(3,4-difluorobenzylidene)hydrazinyl)-9H-purine
cas:537667-39-3
(E)-6-(2-(2-nitrobenzylidene)hydrazinyl)-9H-purine
cas:304864-77-5
(E)-6-(2-(4-ethylbenzylidene)hydrazinyl)-9H-purine
cas:537667-43-9
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
NMR Spectrum
4.
Computational chemical data
5.
Toltal 1 Suppliers
6.
Realated Product Infomation
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