CS-1101680
3H-1,2,4-Triazol-3-one, 5-(aminomethyl)-1,2-dihydro-2-methyl-, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 2935402-64-3
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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
C₄H₉ClN₄O
Molecular Weight
164.59
Synonyms
None
SMILES
O=C1N(NC(CN)=N1)C.Cl
Tpsa
76.7
Logp
-1.0111
H Acceptors
4
H Donors
2
Rotatable Bonds
1
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: C₄H₉ClN₄O
Molecular Weight: 164.59
Synonyms: None
SMILES: O=C1N(NC(CN)=N1)C.Cl
Tpsa: 76.7
Logp: -1.0111
H Acceptors: 4
H Donors: 2
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:
C₄H₉ClN₄O
Molecular Weight:
164.59
Synonyms:
None
SMILES:
O=C1N(NC(CN)=N1)C.Cl
Tpsa:
76.7
Logp:
-1.0111
H Acceptors:
4
H Donors:
2
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: C₄H₁₀BNO₂
Molecular Weight: 114.94
Synonyms: None
SMILES: OB([C@@H]1NCCC1)O
Tpsa: 52.49
Logp: -1.2496
H Acceptors: 3
H Donors: 3
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:
C₄H₁₀BNO₂
Molecular Weight:
114.94
Synonyms:
None
SMILES:
OB([C@@H]1NCCC1)O
Tpsa:
52.49
Logp:
-1.2496
H Acceptors:
3
H Donors:
3
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: C₁₃H₁₂BrClF₂N₂O
Molecular Weight: 365.60
Synonyms: None
SMILES: FC(C1=C(Br)C2=C(N(C3CCCCO3)N=C2)C=C1Cl)F
Tpsa: 27.05
Logp: 5.0889
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:
C₁₃H₁₂BrClF₂N₂O
Molecular Weight:
365.60
Synonyms:
None
SMILES:
FC(C1=C(Br)C2=C(N(C3CCCCO3)N=C2)C=C1Cl)F
Tpsa:
27.05
Logp:
5.0889
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: C₁₃H₁₂BrClN₂O₂
Molecular Weight: 343.60
Synonyms: None
SMILES: O=CC1=C(Br)C2=C(N(C3CCCCO3)N=C2)C=C1Cl
Tpsa: 44.12
Logp: 3.9638
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:
C₁₃H₁₂BrClN₂O₂
Molecular Weight:
343.60
Synonyms:
None
SMILES:
O=CC1=C(Br)C2=C(N(C3CCCCO3)N=C2)C=C1Cl
Tpsa:
44.12
Logp:
3.9638
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2