CS-0579893
Tert-butyl 4-cyclobutyl-1,4-diazepane-1-carboxylate
Manufacturer: ChemScene
CAS Number: 851048-48-1
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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
C₁₄H₂₆N₂O₂
Molecular Weight
254.37
Synonyms
1H-1,4-Diazepine-1-carboxylic acid, 4-cyclobutylhexahydro-, 1,1-dimethylethyl ester
SMILES
CC(C)(C)OC(=O)N1CCCN(CC1)C2CCC2
Tpsa
32.78
Logp
2.4817
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: C₁₄H₂₆N₂O₂
Molecular Weight: 254.37
Synonyms: 1H-1,4-Diazepine-1-carboxylic acid, 4-cyclobutylhexahydro-, 1,1-dimethylethyl ester
SMILES: CC(C)(C)OC(=O)N1CCCN(CC1)C2CCC2
Tpsa: 32.78
Logp: 2.4817
H Acceptors: 3
H Donors: 0
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:
C₁₄H₂₆N₂O₂
Molecular Weight:
254.37
Synonyms:
1H-1,4-Diazepine-1-carboxylic acid, 4-cyclobutylhexahydro-, 1,1-dimethylethyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCN(CC1)C2CCC2
Tpsa:
32.78
Logp:
2.4817
H Acceptors:
3
H Donors:
0
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: C₁₂H₁₃Cl₃N₂O
Molecular Weight: 307.60
Synonyms: None
SMILES: C1CN(CCN1C2=C(C(=CC=C2)Cl)Cl)C(=O)CCl
Tpsa: 23.55
Logp: 2.8808
H Acceptors: 2
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:
C₁₂H₁₃Cl₃N₂O
Molecular Weight:
307.60
Synonyms:
None
SMILES:
C1CN(CCN1C2=C(C(=CC=C2)Cl)Cl)C(=O)CCl
Tpsa:
23.55
Logp:
2.8808
H Acceptors:
2
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: C₇H₁₀ClN₃O₂
Molecular Weight: 203.63
Synonyms: methyl 4,5-diaminopyridine-2-carboxylate,hydrochloride
SMILES: COC(=O)C1=NC=C(C(=C1)N)N.Cl
Tpsa: 91.23
Logp: 0.4544
H Acceptors: 5
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:
C₇H₁₀ClN₃O₂
Molecular Weight:
203.63
Synonyms:
methyl 4,5-diaminopyridine-2-carboxylate,hydrochloride
SMILES:
COC(=O)C1=NC=C(C(=C1)N)N.Cl
Tpsa:
91.23
Logp:
0.4544
H Acceptors:
5
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: C₆H₈N₄O₄
Molecular Weight: 200.15
Synonyms: azanium,4-amino-5-nitropyridine-2-carboxylate
SMILES: C1=C(C(=CN=C1C(=O)[O-])[N+](=O)[O-])N.[NH4+]
Tpsa: 158.68
Logp: -0.6883
H Acceptors: 6
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:
C₆H₈N₄O₄
Molecular Weight:
200.15
Synonyms:
azanium,4-amino-5-nitropyridine-2-carboxylate
SMILES:
C1=C(C(=CN=C1C(=O)[O-])[N+](=O)[O-])N.[NH4+]
Tpsa:
158.68
Logp:
-0.6883
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
2