기본 정보
- CAS
245759-64-2- 표준 SMILES
COc1ccc(CC(C)NCc2ccccc2)cc1.O=C(O)[C@@H](O)c1ccccc1- InChIKey
PDWPSGIFFIAUNQ-ZLTKDMPESA-N- 분자식
- C25H29NO4
- 평균 분자량
- 407.5 g/mol
- 단동위원소 질량
- 407.20965841
이름 및 식별자
- 우선 이름
- N-Benzyl-1-(4-methoxyphenyl)propan-2-amine (S)-2-hydroxy-2-phenylacetate
- IUPAC
- N-benzyl-1-(4-methoxyphenyl)propan-2-amine;(2S)-2-hydroxy-2-phenylacetic acid
- 현지명
- 4-메톡시-알파-메틸-N-(페닐메틸)벤젠에탄아민
- 영어명
- 4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine
- 분자식
- C25H29NO4
- 분자량
- 407.51
이름 및 동의어
N-Benzyl-1-(4-methoxyphenyl)propan-2-amine (S)-2-hydroxy-2-phenylacetate245759-64-2PDWPSGIFFIAUNQ-ZLTKDMPESA-N4-Methoxy-alpha-methyl-N-(phenylmethyl)benzene ethaneamine L-mandelic acid salt4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethaneamine l-mandelic acid saltN-benzyl-1-(4-methoxyphenyl)propan-2-amine;(2S)-2-hydroxy-2-phenylacetic acid4-메톡시-알파-메틸-N-(페닐메틸)벤젠에탄아민4-Methoxy-α-methyl-N-(phenylmethyl)benzeneethanamine4-methoxy-a-methyl-N-(phenylmethyl)benzeneethanamine4-METHOXY-ALPHA-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE2-(N-Benzyl-N-(1-(4-methoxyphenyl)propan-2-yl)amino)-1-(3-amino-4-(benzyloxy)phenyl)ethanol
데이터베이스 식별자
- CAS
245759-64-2- PubChem CID
- 71721458
- EC Number
- 607-405-7
물성
구조 계산 물성
- 극성 표면적
- 78.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 368
화학 및 산업
공급사8 곳
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