CS-0143686
tert-Butyl 7-cyano-1,2,4,5-tetrahydro-3H-benzo[d]azepine-3-carboxylate
Manufacturer: ChemScene
CAS Number: 149354-02-9
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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
C₁₆H₂₀N₂O₂
Molecular Weight
272.34
Synonyms
3H-3-Benzazepine-3-carboxylic acid, 7-cyano-1,2,4,5-tetrahydro-, 1,1-dimethylethyl ester
SMILES
O=C(N1CCC2=CC=C(C#N)C=C2CC1)OC(C)(C)C
Tpsa
53.33
Logp
2.89398
H Acceptors
3
H Donors
0
Rotatable Bonds
0
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: C₁₆H₂₀N₂O₂
Molecular Weight: 272.34
Synonyms: 3H-3-Benzazepine-3-carboxylic acid, 7-cyano-1,2,4,5-tetrahydro-, 1,1-dimethylethyl ester
SMILES: O=C(N1CCC2=CC=C(C#N)C=C2CC1)OC(C)(C)C
Tpsa: 53.33
Logp: 2.89398
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₀N₂O₂
Molecular Weight:
272.34
Synonyms:
3H-3-Benzazepine-3-carboxylic acid, 7-cyano-1,2,4,5-tetrahydro-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CCC2=CC=C(C#N)C=C2CC1)OC(C)(C)C
Tpsa:
53.33
Logp:
2.89398
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 95+%
MDL No: MFCD22627995
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈N₂O₃
Molecular Weight: 274.32
Synonyms: 1,1-dimethylethyl 9-cyano-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
SMILES: N#CC1=C2C(CN(C(OC(C)(C)C)=O)CCO2)=CC=C1
Tpsa: 62.56
Logp: 2.68778
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
95+%
MDL No:
MFCD22627995
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈N₂O₃
Molecular Weight:
274.32
Synonyms:
1,1-dimethylethyl 9-cyano-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
SMILES:
N#CC1=C2C(CN(C(OC(C)(C)C)=O)CCO2)=CC=C1
Tpsa:
62.56
Logp:
2.68778
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD15526921
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅BrFNO
Molecular Weight: 206.01
Synonyms: None
SMILES: OCC1=CC(Br)=NC=C1F
Tpsa: 33.12
Logp: 1.4755
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD15526921
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅BrFNO
Molecular Weight:
206.01
Synonyms:
None
SMILES:
OCC1=CC(Br)=NC=C1F
Tpsa:
33.12
Logp:
1.4755
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD16606981
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅BrClNO
Molecular Weight: 222.47
Synonyms: None
SMILES: OCC1=C(Cl)C(Br)=NC=C1
Tpsa: 33.12
Logp: 1.9898
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD16606981
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅BrClNO
Molecular Weight:
222.47
Synonyms:
None
SMILES:
OCC1=C(Cl)C(Br)=NC=C1
Tpsa:
33.12
Logp:
1.9898
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1