CS-0169268
tert-Butyl (1S,9S)-9-amino-6,10-dioxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 88767-96-8
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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
C₁₄H₂₃N₃O₄
Molecular Weight
297.35
Synonyms
tert-butyl (1S,9S)-9-amino-6,10-dioxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
SMILES
O=C([C@@H]1CCCN2N1C([C@@H](N)CCC2=O)=O)OC(C)(C)C
Tpsa
92.94
Logp
0.1838
H Acceptors
5
H Donors
1
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: C₁₄H₂₃N₃O₄
Molecular Weight: 297.35
Synonyms: tert-butyl (1S,9S)-9-amino-6,10-dioxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
SMILES: O=C([C@@H]1CCCN2N1C([C@@H](N)CCC2=O)=O)OC(C)(C)C
Tpsa: 92.94
Logp: 0.1838
H Acceptors: 5
H Donors: 1
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:
C₁₄H₂₃N₃O₄
Molecular Weight:
297.35
Synonyms:
tert-butyl (1S,9S)-9-amino-6,10-dioxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
SMILES:
O=C([C@@H]1CCCN2N1C([C@@H](N)CCC2=O)=O)OC(C)(C)C
Tpsa:
92.94
Logp:
0.1838
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇NO₂
Molecular Weight: 267.32
Synonyms: 2-Benzyl-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester
SMILES: O=C(C1=CC2=C(CN(CC3=CC=CC=C3)C2)C=C1)OC
Tpsa: 29.54
Logp: 2.989
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇NO₂
Molecular Weight:
267.32
Synonyms:
2-Benzyl-2,3-dihydro-1H-isoindole-5-carboxylic acid methyl ester
SMILES:
O=C(C1=CC2=C(CN(CC3=CC=CC=C3)C2)C=C1)OC
Tpsa:
29.54
Logp:
2.989
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆BrFN₂
Molecular Weight: 229.05
Synonyms: None
SMILES: CN1N=C2C(F)=CC(Br)=CC2=C1
Tpsa: 17.82
Logp: 2.4749
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆BrFN₂
Molecular Weight:
229.05
Synonyms:
None
SMILES:
CN1N=C2C(F)=CC(Br)=CC2=C1
Tpsa:
17.82
Logp:
2.4749
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₉NO₄
Molecular Weight: 147.13
Synonyms: None
SMILES: O=C(O)[C@@H](O)CCC(N)=O
Tpsa: 100.62
Logp: -1.3026
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₉NO₄
Molecular Weight:
147.13
Synonyms:
None
SMILES:
O=C(O)[C@@H](O)CCC(N)=O
Tpsa:
100.62
Logp:
-1.3026
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4