CS-0889746
Benzyl 4-amino-2,2-dimethylbutanoate hydrochloride
Manufacturer: ChemScene
CAS Number: 2708281-78-9
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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
C₁₃H₂₀ClNO₂
Molecular Weight
257.76
Synonyms
Butanoic acid, 4-amino-2,2-dimethyl-, phenylmethyl ester (hydrochloride)
SMILES
O=C(OCC1=CC=CC=C1)C(C)(C)CCN.Cl
Tpsa
52.32
Logp
2.5266
H Acceptors
3
H Donors
1
Rotatable Bonds
5
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: C₁₃H₂₀ClNO₂
Molecular Weight: 257.76
Synonyms: Butanoic acid, 4-amino-2,2-dimethyl-, phenylmethyl ester (hydrochloride)
SMILES: O=C(OCC1=CC=CC=C1)C(C)(C)CCN.Cl
Tpsa: 52.32
Logp: 2.5266
H Acceptors: 3
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:
C₁₃H₂₀ClNO₂
Molecular Weight:
257.76
Synonyms:
Butanoic acid, 4-amino-2,2-dimethyl-, phenylmethyl ester (hydrochloride)
SMILES:
O=C(OCC1=CC=CC=C1)C(C)(C)CCN.Cl
Tpsa:
52.32
Logp:
2.5266
H Acceptors:
3
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: C₅H₂BrClN₄
Molecular Weight: 233.45
Synonyms: None
SMILES: N#CC1=NC(Br)=C(N)N=C1Cl
Tpsa: 75.59
Logp: 1.34638
H Acceptors: 4
H Donors: 1
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:
C₅H₂BrClN₄
Molecular Weight:
233.45
Synonyms:
None
SMILES:
N#CC1=NC(Br)=C(N)N=C1Cl
Tpsa:
75.59
Logp:
1.34638
H Acceptors:
4
H Donors:
1
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: C₁₂H₁₃BrO₂
Molecular Weight: 269.13
Synonyms: None
SMILES: O=C1CC(C)(C)C2=C(Br)C=C(C)C=C2O1
Tpsa: 26.3
Logp: 3.34422
H Acceptors: 2
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:
C₁₂H₁₃BrO₂
Molecular Weight:
269.13
Synonyms:
None
SMILES:
O=C1CC(C)(C)C2=C(Br)C=C(C)C=C2O1
Tpsa:
26.3
Logp:
3.34422
H Acceptors:
2
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: C₁₀H₁₁ClN₄O₂
Molecular Weight: 254.67
Synonyms: None
SMILES: O=C(OC(C)(C)C)NC1=NC(C#N)=C(Cl)N=C1
Tpsa: 87.9
Logp: 2.34868
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:
C₁₀H₁₁ClN₄O₂
Molecular Weight:
254.67
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NC1=NC(C#N)=C(Cl)N=C1
Tpsa:
87.9
Logp:
2.34868
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1