CS-1000515
Benzonitrile, 2-amino-4,5-dihydroxy-
Manufacturer: ChemScene
CAS Number: 114903-82-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇H₆N₂O₂
Molecular Weight
150.13
Synonyms
None
SMILES
N#CC1=CC(O)=C(O)C=C1N
Tpsa
90.27
Logp
0.55168
H Acceptors
4
H Donors
3
Rotatable Bonds
0
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆N₂O₂
Molecular Weight: 150.13
Synonyms: None
SMILES: N#CC1=CC(O)=C(O)C=C1N
Tpsa: 90.27
Logp: 0.55168
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆N₂O₂
Molecular Weight:
150.13
Synonyms:
None
SMILES:
N#CC1=CC(O)=C(O)C=C1N
Tpsa:
90.27
Logp:
0.55168
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₁NO₆
Molecular Weight: 193.15
Synonyms: None
SMILES: C(O)(=O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)O1
Tpsa: 133.24
Logp: -3.1627
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁NO₆
Molecular Weight:
193.15
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](N)[C@H](O)O1
Tpsa:
133.24
Logp:
-3.1627
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇N₃O₂S
Molecular Weight: 279.36
Synonyms: None
SMILES: O=C(OC)NC1=NC=2C=CC(SCCC)=CC2N1C
Tpsa: 56.15
Logp: 3.2537
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇N₃O₂S
Molecular Weight:
279.36
Synonyms:
None
SMILES:
O=C(OC)NC1=NC=2C=CC(SCCC)=CC2N1C
Tpsa:
56.15
Logp:
3.2537
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇N₃O₈S
Molecular Weight: 493.53
Synonyms: None
SMILES: [C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)C(S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa: 185.62
Logp: 0.7811
H Acceptors: 8
H Donors: 6
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₇N₃O₈S
Molecular Weight:
493.53
Synonyms:
None
SMILES:
[C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)C(S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa:
185.62
Logp:
0.7811
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
9