CS-0577712
3-Amino-4-(4-methylpiperazin-1-yl)benzoic acid trihydrate
Manufacturer: ChemScene
CAS Number: 1185300-77-9
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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
C₁₂H₂₃N₃O₅
Molecular Weight
289.33
Synonyms
3-Amino-4-(4-methyl-piperazin-1-yl)-benzoic acidtrihydrate
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N.O.O.O
Tpsa
164.3
Logp
-1.7553
H Acceptors
4
H Donors
2
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: C₁₂H₂₃N₃O₅
Molecular Weight: 289.33
Synonyms: 3-Amino-4-(4-methyl-piperazin-1-yl)-benzoic acidtrihydrate
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N.O.O.O
Tpsa: 164.3
Logp: -1.7553
H Acceptors: 4
H Donors: 2
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:
C₁₂H₂₃N₃O₅
Molecular Weight:
289.33
Synonyms:
3-Amino-4-(4-methyl-piperazin-1-yl)-benzoic acidtrihydrate
SMILES:
CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N.O.O.O
Tpsa:
164.3
Logp:
-1.7553
H Acceptors:
4
H Donors:
2
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: C₇H₁₀Cl₃FN₂
Molecular Weight: 247.53
Synonyms: (2-Chloro-6-fluorobenzyl)hydrazinedihydrochloride
SMILES: NNCC1=C(F)C=CC=C1Cl.[H]Cl.[H]Cl
Tpsa: 38.05
Logp: 2.286
H Acceptors: 2
H Donors: 2
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:
C₇H₁₀Cl₃FN₂
Molecular Weight:
247.53
Synonyms:
(2-Chloro-6-fluorobenzyl)hydrazinedihydrochloride
SMILES:
NNCC1=C(F)C=CC=C1Cl.[H]Cl.[H]Cl
Tpsa:
38.05
Logp:
2.286
H Acceptors:
2
H Donors:
2
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: C₁₃H₉F₄NO₂
Molecular Weight: 287.21
Synonyms: 4-Quinolinecarboxylic acid, 6-fluoro-2-(trifluoromethyl)-, ethyl ester
SMILES: CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)F)C(F)(F)F
Tpsa: 39.19
Logp: 3.5694
H Acceptors: 3
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:
C₁₃H₉F₄NO₂
Molecular Weight:
287.21
Synonyms:
4-Quinolinecarboxylic acid, 6-fluoro-2-(trifluoromethyl)-, ethyl ester
SMILES:
CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)F)C(F)(F)F
Tpsa:
39.19
Logp:
3.5694
H Acceptors:
3
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: C₈H₇Cl₂N₃S
Molecular Weight: 248.13
Synonyms: None
SMILES: C1=CC(=CC=C1C2=C(SN=N2)N)Cl.Cl
Tpsa: 51.8
Logp: 2.8625
H Acceptors: 4
H Donors: 1
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:
C₈H₇Cl₂N₃S
Molecular Weight:
248.13
Synonyms:
None
SMILES:
C1=CC(=CC=C1C2=C(SN=N2)N)Cl.Cl
Tpsa:
51.8
Logp:
2.8625
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1