CS-0544566
3,7,8-Trimethyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one
Manufacturer: ChemScene
CAS Number: 138742-61-7
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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
C₁₂H₁₆N₂O
Molecular Weight
204.27
Synonyms
1,3,4,5-Tetrahydro-3,7,8-trimethyl-2H-1,5-benzodiazepin-2-one
SMILES
CC1CNC2=C(C=C(C(=C2)C)C)NC1=O
Tpsa
41.13
Logp
2.30354
H Acceptors
2
H Donors
2
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
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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: C₁₂H₁₆N₂O
Molecular Weight: 204.27
Synonyms: 1,3,4,5-Tetrahydro-3,7,8-trimethyl-2H-1,5-benzodiazepin-2-one
SMILES: CC1CNC2=C(C=C(C(=C2)C)C)NC1=O
Tpsa: 41.13
Logp: 2.30354
H Acceptors: 2
H Donors: 2
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:
C₁₂H₁₆N₂O
Molecular Weight:
204.27
Synonyms:
1,3,4,5-Tetrahydro-3,7,8-trimethyl-2H-1,5-benzodiazepin-2-one
SMILES:
CC1CNC2=C(C=C(C(=C2)C)C)NC1=O
Tpsa:
41.13
Logp:
2.30354
H Acceptors:
2
H Donors:
2
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: C₁₂H₁₆N₄
Molecular Weight: 216.28
Synonyms: None
SMILES: CNCCCC1=CN(N=C1)C2=CC=CC=N2
Tpsa: 42.74
Logp: 1.4193
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆N₄
Molecular Weight:
216.28
Synonyms:
None
SMILES:
CNCCCC1=CN(N=C1)C2=CC=CC=N2
Tpsa:
42.74
Logp:
1.4193
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃ClN₂O
Molecular Weight: 236.70
Synonyms: None
SMILES: CC(C1=NC2=CC=C(Cl)C=C2N1CCC)=O
Tpsa: 34.89
Logp: 3.3023
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₃ClN₂O
Molecular Weight:
236.70
Synonyms:
None
SMILES:
CC(C1=NC2=CC=C(Cl)C=C2N1CCC)=O
Tpsa:
34.89
Logp:
3.3023
H Acceptors:
3
H Donors:
0
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: C₁₁H₁₃ClN₂O
Molecular Weight: 224.69
Synonyms: None
SMILES: OCCCC1=NC2=CC(Cl)=CC=C2N1C
Tpsa: 38.05
Logp: 2.1516
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₃ClN₂O
Molecular Weight:
224.69
Synonyms:
None
SMILES:
OCCCC1=NC2=CC(Cl)=CC=C2N1C
Tpsa:
38.05
Logp:
2.1516
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3