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(S)-(-)-1-Phenylpropylamine

CAT: 0572-TRC-P336220-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P336220-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3789-59-1
Synonyms
(S)-(-)-alpha-Ethylbenzylamine; (S)-1-Phenylpropan-1-amine; (S)-1-Phenylpropylamine; (S)-alpha-Ethylbenzenemethanamine; (S)-alpha-Ethylbenzylamine; (S)-alpha-Phenylpropylamine; [(1S)-1-Phenylpropyl]amine; (-)-(S)-1-Phenylpropylamine; (-)-1-Ethylbenzylamine; (-)-1-Phenylpropylamine; (1S)-1-Phenyl-1-propanamine; (alphaS)-alpha-Ethyl-benzenemethanamine; (S)-alpha-Ethyl-Benzenemethanamine; (S)-(-)-alpha-Ethyl-Benzylamine; l-alpha-ethyl-Benzylamine;
Hazard Statement
Combustible liquid and vapour; UN number: UN2735; Packing Group: II
Smiles
CC[C@H](N)c1ccccc1
Molecular Formula
C9H13N
Molecular Weight
135.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(1S)-1-phenylpropan-1-amine
CAS Number3789-59-1
PubChem CID6993773
IUPAC Name(1S)-1-phenylpropan-1-amine
Molecular FormulaC9H13N
Molecular Weight135.21
XLogP1.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity84
SMILES
CC[C@@H](C1=CC=CC=C1)N
InChI
InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m0/s1
InChIKey
AQFLVLHRZFLDDV-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (1S)-1-phenylpropan-1-amine
CAS: 3789-59-1
CID: 6993773
Formula: C9H13N
MW: 135.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.21
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass135.104799419
Monoisotopic Mass135.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity84.7
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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