CS-1005069
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 859026-97-4
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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
C₉H₁₁N₃O₂
Molecular Weight
193.20
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(=C1)NC(=N)N)C
Tpsa
99.2
Logp
0.99859
H Acceptors
2
H Donors
4
Rotatable Bonds
2
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: C₉H₁₁N₃O₂
Molecular Weight: 193.20
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(=C1)NC(=N)N)C
Tpsa: 99.2
Logp: 0.99859
H Acceptors: 2
H Donors: 4
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁N₃O₂
Molecular Weight:
193.20
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(=C1)NC(=N)N)C
Tpsa:
99.2
Logp:
0.99859
H Acceptors:
2
H Donors:
4
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉NO₇
Molecular Weight: 243.17
Synonyms: None
SMILES: O=C(OC(OC(=O)C)C1=COC(=C1)N(=O)=O)C
Tpsa: 108.88
Logp: 1.3126
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉NO₇
Molecular Weight:
243.17
Synonyms:
None
SMILES:
O=C(OC(OC(=O)C)C1=COC(=C1)N(=O)=O)C
Tpsa:
108.88
Logp:
1.3126
H Acceptors:
7
H Donors:
0
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: C₃₁H₄₆O₃
Molecular Weight: 466.70
Synonyms: None
SMILES: C(/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)[C@]12[C@](C)(O1)C(=O)C=3C(C2=O)=CC=CC3
Tpsa: 46.67
Logp: 8.3688
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₆O₃
Molecular Weight:
466.70
Synonyms:
None
SMILES:
C(/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)[C@]12[C@](C)(O1)C(=O)C=3C(C2=O)=CC=CC3
Tpsa:
46.67
Logp:
8.3688
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆O₄
Molecular Weight: 178.14
Synonyms: None
SMILES: O=CC=1C=C2OCOC2=C(C=O)C1
Tpsa: 52.6
Logp: 1.0403
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆O₄
Molecular Weight:
178.14
Synonyms:
None
SMILES:
O=CC=1C=C2OCOC2=C(C=O)C1
Tpsa:
52.6
Logp:
1.0403
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2