CS-0756828
2-(Aminomethyl)-5-carbamimidoylbenzoic acid hcl
Manufacturer: ChemScene
CAS Number: 1956328-08-7
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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
C₉H₁₂ClN₃O₂
Molecular Weight
229.66
Synonyms
None
SMILES
Cl.NCC1=C(C=C(C=C1)C(N)=N)C(O)=O
Tpsa
113.19
Logp
0.54937
H Acceptors
3
H Donors
4
Rotatable Bonds
3
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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: C₉H₁₂ClN₃O₂
Molecular Weight: 229.66
Synonyms: None
SMILES: Cl.NCC1=C(C=C(C=C1)C(N)=N)C(O)=O
Tpsa: 113.19
Logp: 0.54937
H Acceptors: 3
H Donors: 4
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂ClN₃O₂
Molecular Weight:
229.66
Synonyms:
None
SMILES:
Cl.NCC1=C(C=C(C=C1)C(N)=N)C(O)=O
Tpsa:
113.19
Logp:
0.54937
H Acceptors:
3
H Donors:
4
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃F₃N₄O₂
Molecular Weight: 350.30
Synonyms: None
SMILES: COC1=CC=C(CN2N=C(C(C=C)=C2C(=O)[CH-][N+]#N)C(F)(F)F)C=C1
Tpsa: 72.27
Logp: 3.79937
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃F₃N₄O₂
Molecular Weight:
350.30
Synonyms:
None
SMILES:
COC1=CC=C(CN2N=C(C(C=C)=C2C(=O)[CH-][N+]#N)C(F)(F)F)C=C1
Tpsa:
72.27
Logp:
3.79937
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₀ClNO₃
Molecular Weight: 273.76
Synonyms: None
SMILES: Cl.CC(C)NCC(O)COC1=CC=C(C=O)C=C1
Tpsa: 58.56
Logp: 1.6586
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₀ClNO₃
Molecular Weight:
273.76
Synonyms:
None
SMILES:
Cl.CC(C)NCC(O)COC1=CC=C(C=O)C=C1
Tpsa:
58.56
Logp:
1.6586
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀ClFN₂O₂
Molecular Weight: 302.77
Synonyms: None
SMILES: Cl.CNC(=O)C1=C2OC(C)(C)CC(CN)C2=CC(F)=C1
Tpsa: 64.35
Logp: 2.2105
H Acceptors: 3
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:
C₁₄H₂₀ClFN₂O₂
Molecular Weight:
302.77
Synonyms:
None
SMILES:
Cl.CNC(=O)C1=C2OC(C)(C)CC(CN)C2=CC(F)=C1
Tpsa:
64.35
Logp:
2.2105
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2