CS-0091871
6,7,8,9-Tetrahydro-1H-pyrimido[4,5-c]azepine-2,4(3H,5H)-dione
Manufacturer: ChemScene
CAS Number: 1543093-73-7
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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
C₈H₁₁N₃O₂
Molecular Weight
181.19
Synonyms
None
SMILES
O=C1NC2=C(C(N1)=O)CCCNC2
Tpsa
77.75
Logp
-0.901
H Acceptors
3
H Donors
3
Rotatable Bonds
0
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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: C₈H₁₁N₃O₂
Molecular Weight: 181.19
Synonyms: None
SMILES: O=C1NC2=C(C(N1)=O)CCCNC2
Tpsa: 77.75
Logp: -0.901
H Acceptors: 3
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:
C₈H₁₁N₃O₂
Molecular Weight:
181.19
Synonyms:
None
SMILES:
O=C1NC2=C(C(N1)=O)CCCNC2
Tpsa:
77.75
Logp:
-0.901
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO₃
Molecular Weight: 231.25
Synonyms: 2-(2,5-dimethylpyrrol-1-yl)-5-hydroxybenzoic acid
SMILES: O=C(O)C1=CC(O)=CC=C1N2C(C)=CC=C2C
Tpsa: 62.46
Logp: 2.49794
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₃NO₃
Molecular Weight:
231.25
Synonyms:
2-(2,5-dimethylpyrrol-1-yl)-5-hydroxybenzoic acid
SMILES:
O=C(O)C1=CC(O)=CC=C1N2C(C)=CC=C2C
Tpsa:
62.46
Logp:
2.49794
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: C₁₁H₆BrNO₄
Molecular Weight: 296.07
Synonyms: None
SMILES: O=C(C1=C2C(Br)=CC=CC2=CC([N+]([O-])=O)=C1)O
Tpsa: 80.44
Logp: 3.2087
H Acceptors: 3
H Donors: 1
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:
C₁₁H₆BrNO₄
Molecular Weight:
296.07
Synonyms:
None
SMILES:
O=C(C1=C2C(Br)=CC=CC2=CC([N+]([O-])=O)=C1)O
Tpsa:
80.44
Logp:
3.2087
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₅NO₂
Molecular Weight: 193.24
Synonyms: 5-Amino-2-tert-butyl-benzoic acid
SMILES: O=C(O)C1=CC(N)=CC=C1C(C)(C)C
Tpsa: 63.32
Logp: 2.2645
H Acceptors: 2
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:
C₁₁H₁₅NO₂
Molecular Weight:
193.24
Synonyms:
5-Amino-2-tert-butyl-benzoic acid
SMILES:
O=C(O)C1=CC(N)=CC=C1C(C)(C)C
Tpsa:
63.32
Logp:
2.2645
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1