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Organic Intermediate
1-AMINO-2-NAPHTHALENESULFONIC ACID
CAS:
81-06-1
MW:
223.24836
MF:
C10H9NO3S
 
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Names and ldentifier
Properties
Other Information
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
1-AMINO-2-NAPHTHALENESULFONIC ACID
1.2 Synonyms
1,2-Naphthylaminesulfonic acid; 1-AMINO-2-NAPHTHALENESULFONIC ACID; 1-amino-2-naphthalenesulfonicaci; 1-amino-naphthalene-2-sulfonic acid; 1-Aminonaphthalene-2-sulphonic acid; 1-Amino-naphthalin-2-sulfonsaeure; 1-azanylnaphthalene-2-sulfonic acid; 1-NAPHTHYLAMINE-2-SULFONIC ACID; 2-Naphthalenesulfonic acid, 1-amino-; EINECS 201-320-5; Naphthylamin-(1)-sulfonsaeure-(2); O-NAPHTHIONIC ACID; ONZWNZGVZFLMNZ-UHFFFAOYSA-N; α-Naphthylamine-2-sulfonic acid;
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1.3 CAS No.
81-06-1
1.4 CID
6667
1.5 EINECS
201-320-5
1.6 Molecular Formula
C10H9NO3S
1.7 Inchi
InChI=1S/C10H9NO3S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15(12,13)14/h1-6H,11H2,(H,12,13,14)
1.8 InChkey
ONZWNZGVZFLMNZ-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C2C(=C1)C=CC(=C2N)S(=O)(=O)O
1.10 Isomers Smiles
C1=CC=C2C(=C1)C=CC(=C2N)S(=O)(=O)O
2. Properties
2.1 Solubility
4.1g/L(20 ºC)
2.2 pKa
pK1: 1.71 (25°C)
2.3 Water Solubility
4.1g/L(20 oC)
3. Synthesis Route
81-06-1
Total: 6 Synthesis Route
84-86-6
26 Suppliers
134-32-7
85 Suppliers
81-06-1
5 Suppliers
134-32-7
85 Suppliers
121-57-3
247 Suppliers
81-06-1
5 Suppliers
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4. Precursor and Product
precursor:
134-32-7
121-57-3
84-86-6
5329-14-6
7732-18-5
product:
120-18-3
605-69-6
24344-19-2
61832-82-4
5. Computed Properties
Molecular Weight:
223.24836g/mol
Molecular Formula:
C
10
H
9
NO
3
S
Compound Is Canonicalized:
True
Exact Mass:
1.8
XLogP3-AA:
223.03031432
Monoisotopic Mass:
223.03031432
Complexity:
322
Rotatable Bond Count:
1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Topological Polar Surface Area:
88.8
Heavy Atom Count::
15
Defined Atom Stereocenter Count:
0
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:
AAADccByMABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHAQQCAAADAiBWAAwwcBAAIKAAiRCQHDCAEAgAAAIiBwARIgIICKAkZGAIABggAAIyAcQgIAOkAAAwAASAQAgAAGAACQCAAAAAAAAAA==
6.Other Information
Manufacturing Info
2-Naphthalenesulfonic acid, 1-amino-: INACTIVE
7. Toltal 4 Suppliers
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Dayang Chem (Hangzhou) Co., Ltd.
1YR
Tel:
Update Time:
2024/06/17
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Hubei Jiutian Bio-medical Technology Co., Ltd
1YR
Tel:
Update Time:
2024/09/17
inquire
Discovery Products and Services, Inc
Tel:
Update Time:
2019/02/25
inquire
Service Chemical Inc.
Tel:
Update Time:
2019/11/25
inquire
8. Realated Product Infomation
6-Amino-2-naphthalenesulfonic acid
cas:93-00-5
5-Amino-1-naphthalenesulfonic acid
cas:84-89-9
6-Amino-1-naphthalenesulfonic acid
cas:81-05-0
6-Amino-2-naphthalenesulfonic Acid Monohydrate
cas:5798-97-0
Naphthalenesulfonic acids
cas:68153-01-5
6-Amino-4-hydroxy-2-naphthalenesulfonic acid
cas:90-51-7
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles
2. Properties
2.1 Solubility
2.2 pKa
2.3 Water Solubility
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Other Information
7.
Toltal 4 Suppliers
8.
Realated Product Infomation
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